Supporting information
Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536807025421/gk2075sup1.cif | |
Structure factor file (CIF format) https://doi.org/10.1107/S1600536807025421/gk2075Isup2.hkl |
CCDC reference: 650540
Key indicators
- Single-crystal X-ray study
- T = 120 K
- Mean (C-C) = 0.003 Å
- Disorder in main residue
- R factor = 0.035
- wR factor = 0.095
- Data-to-parameter ratio = 15.2
checkCIF/PLATON results
No syntax errors found
Alert level B PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.56 Ratio
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.06 Ratio PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C26A PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5 PLAT301_ALERT_3_C Main Residue Disorder ......................... 20.00 Perc. PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1B ... ?
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
For related literature, see: Corwin et al. (1987); Kimblin et al. (2000); Becker et al. (2002); Pladzyk & Baranowska (2006).
[Co{SSi(OtBu)3}2(NH3)]2 was obtained as described (Becker et al., 2002). All other reagents were obtained commercially. 2-Ethylpyridine was dried by standard methods, and distilled prior to use. To a solution of [Co{SSi(OtBu)3}2(NH3)]2 (0.124 g, 0.2 mmol) in 10 ml of n-hexane, freshly prepared 2-ethylpyridine (22,8µl, 0.2 mmol) was added and blue, well formed crystals of [Co{SSi(OtBu)3}2(2-ethylpyridine)(NH3)] were obtained.
All H atoms were refined in the riding mode approximation with aromatic C—H = 0.95 Å, methyl C—H = 0.98 Å, methylene C—H = 0.99 Å, and Uiso(H) = 1.2Ueq(C) for CH groups, Uiso(H) = 1.3Ueq(C) for CH2 groups, 1.5Ueq(C) for CH3 groups. The disordered tBu group C2—C4 has site-occupancy factors of 0.660 (5) and 0.340 (5) for two orientations. Also 2-ethylpyridine was refined as disordered over two positions with occupancies of 0.736 (5) and 0.264 (5).
Complexes of transition metals with sulfur and nitrogen ligands serve as biological models of histidine-metal-cysteine centers found in zinc metalloproteins (Corwin et al., 1987; Kimblin et al., 2000). However, "spectroscopic silence" of zinc thiolates prevents the use of spectral experiments for simulation of enzymatic reactions in solution, i.e. direct measurement of the loss of substrate or product concentration increase. Since, cobalt and zinc coordination chemistry is similar and changes in coordination environment of cobalt complexes can be monitored by UV-VIS, we decided to synthesize appropriate cobalt complexes which could replace adequate complexes of zinc in spectral experiments. The objective of our research is exploration of the syntheses, geometrical structures and reactivity of model complexes. We have synthesized and characterized structurally several cobalt (II) silanethiolates with pyridine and pyridine related ligands (Becker et al., 2002 and the references cited therein; Pladzyk & Baranowska, 2006).
The title complex (Fig. 1), with CoN2S2 core and tetrahedrally coordinated cobalt (II), is similar to [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)], obtained earlier (Becker et al., 2002). However, ethyl substituent on the pyridine ring forces different spatial arrangement of the ligands and, in consequence, intermolecular hydrogen bond can be formed between sulfur atom and ammonia nitrogen with the N···S distance of 3.528 (2) Å, while in [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)] two N···O hydrogen bonds were present. The reorganization of ligands in the title compound involves mainly changes in the N2–Co1–N2 and S1–Co1–S2 angles, which in comparison with [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)], are wider by approximately 6–7 ° in (I). The remaining N–Co–S, Si–S–Co angles are slightly smaller than those found in [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)].
For related literature, see: Corwin et al. (1987); Kimblin et al. (2000); Becker et al. (2002); Pladzyk & Baranowska (2006).
Data collection: CrysAlis CCD (Oxford Diffraction, 2005); cell refinement: CrysAlis RED (Oxford Diffraction, 2005); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: ORTEP-3 for Windows (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999).
[Co(C12H27O3SSi)2(C7H9N)(NH3)] | Z = 2 |
Mr = 742.09 | F(000) = 802 |
Triclinic, P1 | Dx = 1.184 Mg m−3 |
Hall symbol: -P 1 | Mo Kα radiation, λ = 0.71073 Å |
a = 9.6939 (4) Å | Cell parameters from 12985 reflections |
b = 13.7249 (6) Å | θ = 2.2–32.4° |
c = 16.1266 (6) Å | µ = 0.61 mm−1 |
α = 78.605 (4)° | T = 120 K |
β = 88.106 (3)° | Prism, blue |
γ = 81.830 (4)° | 0.26 × 0.11 × 0.04 mm |
V = 2081.94 (15) Å3 |
Kuma KM-4-CCD κ-geometry diffractometer | 7322 independent reflections |
Graphite monochromator | 6247 reflections with I > 2σ(I) |
Detector resolution: 8.1883 pixels mm-1 | Rint = 0.025 |
ω scans | θmax = 25.1°, θmin = 2.2° |
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2005) | h = −11→11 |
Tmin = 0.787, Tmax = 0.944 | k = −13→16 |
13393 measured reflections | l = −18→19 |
Refinement on F2 | Primary atom site location: structure-invariant direct methods |
Least-squares matrix: full | Secondary atom site location: difference Fourier map |
R[F2 > 2σ(F2)] = 0.035 | Hydrogen site location: inferred from neighbouring sites |
wR(F2) = 0.095 | H-atom parameters constrained |
S = 1.08 | w = 1/[σ2(Fo2) + (0.0534P)2 + 0.9644P] where P = (Fo2 + 2Fc2)/3 |
7322 reflections | (Δ/σ)max = 0.001 |
482 parameters | Δρmax = 0.39 e Å−3 |
0 restraints | Δρmin = −0.31 e Å−3 |
[Co(C12H27O3SSi)2(C7H9N)(NH3)] | γ = 81.830 (4)° |
Mr = 742.09 | V = 2081.94 (15) Å3 |
Triclinic, P1 | Z = 2 |
a = 9.6939 (4) Å | Mo Kα radiation |
b = 13.7249 (6) Å | µ = 0.61 mm−1 |
c = 16.1266 (6) Å | T = 120 K |
α = 78.605 (4)° | 0.26 × 0.11 × 0.04 mm |
β = 88.106 (3)° |
Kuma KM-4-CCD κ-geometry diffractometer | 7322 independent reflections |
Absorption correction: analytical (CrysAlis RED; Oxford Diffraction, 2005) | 6247 reflections with I > 2σ(I) |
Tmin = 0.787, Tmax = 0.944 | Rint = 0.025 |
13393 measured reflections |
R[F2 > 2σ(F2)] = 0.035 | 0 restraints |
wR(F2) = 0.095 | H-atom parameters constrained |
S = 1.08 | Δρmax = 0.39 e Å−3 |
7322 reflections | Δρmin = −0.31 e Å−3 |
482 parameters |
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. |
Refinement. Refinement of F2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F2, conventional R-factors R are based on F, with F set to zero for negative F2. The threshold expression of F2 > σ(F2) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F2 are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. |
x | y | z | Uiso*/Ueq | Occ. (<1) | |
Co1 | 0.56482 (3) | 0.444200 (19) | 0.684482 (17) | 0.02391 (9) | |
S1 | 0.74076 (6) | 0.39705 (4) | 0.78226 (3) | 0.02890 (13) | |
S2 | 0.58041 (6) | 0.58892 (4) | 0.58700 (3) | 0.02917 (13) | |
Si1 | 0.72768 (6) | 0.24453 (4) | 0.81741 (3) | 0.02232 (13) | |
Si2 | 0.56792 (6) | 0.69859 (4) | 0.66132 (3) | 0.02210 (13) | |
O1 | 0.82101 (15) | 0.19001 (11) | 0.90026 (9) | 0.0288 (3) | |
O2 | 0.78130 (14) | 0.18079 (10) | 0.74373 (9) | 0.0251 (3) | |
O3 | 0.56257 (15) | 0.23304 (10) | 0.83043 (10) | 0.0288 (3) | |
O4 | 0.67436 (16) | 0.65534 (10) | 0.73988 (9) | 0.0292 (3) | |
O5 | 0.60382 (15) | 0.80487 (10) | 0.60540 (9) | 0.0270 (3) | |
O6 | 0.41524 (15) | 0.72489 (10) | 0.70317 (9) | 0.0267 (3) | |
C1 | 0.8376 (2) | 0.21322 (18) | 0.98232 (14) | 0.0361 (5) | |
C2 | 0.9411 (5) | 0.2897 (4) | 0.9685 (3) | 0.0587 (14) | 0.660 (5) |
H2A | 1.0288 | 0.26 | 0.946 | 0.088* | 0.660 (5) |
H2B | 0.9585 | 0.3082 | 1.0224 | 0.088* | 0.660 (5) |
H2C | 0.9021 | 0.3496 | 0.9281 | 0.088* | 0.660 (5) |
C3 | 0.8864 (7) | 0.1205 (4) | 1.0388 (3) | 0.0640 (17) | 0.660 (5) |
H3A | 0.8173 | 0.0742 | 1.0419 | 0.096* | 0.660 (5) |
H3B | 0.9 | 0.1337 | 1.0953 | 0.096* | 0.660 (5) |
H3C | 0.975 | 0.0904 | 1.0176 | 0.096* | 0.660 (5) |
C4 | 0.6966 (4) | 0.2650 (3) | 1.0095 (2) | 0.0449 (12) | 0.660 (5) |
H4A | 0.6648 | 0.3241 | 0.9662 | 0.067* | 0.660 (5) |
H4B | 0.7075 | 0.2857 | 1.0634 | 0.067* | 0.660 (5) |
H4C | 0.6279 | 0.218 | 1.0162 | 0.067* | 0.660 (5) |
C2A | 0.9997 (8) | 0.1834 (7) | 1.0065 (5) | 0.051 (2) | 0.340 (5) |
H2D | 1.0118 | 0.1848 | 1.0663 | 0.077* | 0.340 (5) |
H2E | 1.0539 | 0.2313 | 0.9715 | 0.077* | 0.340 (5) |
H2F | 1.0323 | 0.1157 | 0.9965 | 0.077* | 0.340 (5) |
C3A | 0.7689 (12) | 0.1315 (7) | 1.0487 (4) | 0.051 (3) | 0.340 (5) |
H3D | 0.8001 | 0.0647 | 1.0366 | 0.076* | 0.340 (5) |
H3E | 0.6672 | 0.1461 | 1.0444 | 0.076* | 0.340 (5) |
H3F | 0.7973 | 0.1336 | 1.1061 | 0.076* | 0.340 (5) |
C4A | 0.7904 (10) | 0.3121 (6) | 0.9995 (5) | 0.047 (2) | 0.340 (5) |
H4D | 0.8098 | 0.3129 | 1.0586 | 0.071* | 0.340 (5) |
H4E | 0.6899 | 0.3289 | 0.9894 | 0.071* | 0.340 (5) |
H4F | 0.8396 | 0.3615 | 0.9622 | 0.071* | 0.340 (5) |
C5 | 0.9195 (2) | 0.13754 (17) | 0.72242 (13) | 0.0309 (5) | |
C6 | 0.9139 (2) | 0.13352 (18) | 0.62931 (14) | 0.0357 (5) | |
H6A | 0.8348 | 0.1003 | 0.6193 | 0.054* | |
H6B | 1.0006 | 0.0958 | 0.6128 | 0.054* | |
H6C | 0.9028 | 0.2019 | 0.5957 | 0.054* | |
C7 | 1.0277 (3) | 0.2022 (3) | 0.7361 (2) | 0.0624 (9) | |
H7A | 1.0033 | 0.2701 | 0.7027 | 0.094* | |
H7B | 1.1194 | 0.1731 | 0.7183 | 0.094* | |
H7C | 1.0303 | 0.2054 | 0.7962 | 0.094* | |
C8 | 0.9478 (4) | 0.0324 (2) | 0.77527 (19) | 0.0713 (11) | |
H8A | 0.9412 | 0.0358 | 0.8354 | 0.107* | |
H8B | 1.0415 | 0.0015 | 0.7626 | 0.107* | |
H8C | 0.8789 | −0.0079 | 0.7619 | 0.107* | |
C9 | 0.4871 (2) | 0.14759 (16) | 0.84083 (14) | 0.0306 (5) | |
C10 | 0.5736 (3) | 0.05220 (17) | 0.88649 (17) | 0.0406 (6) | |
H10A | 0.6591 | 0.0384 | 0.8542 | 0.061* | |
H10B | 0.5197 | −0.004 | 0.8918 | 0.061* | |
H10C | 0.5977 | 0.0607 | 0.9429 | 0.061* | |
C11 | 0.4473 (3) | 0.1358 (2) | 0.75355 (17) | 0.0471 (6) | |
H11A | 0.3952 | 0.1988 | 0.7239 | 0.071* | |
H11B | 0.3891 | 0.082 | 0.759 | 0.071* | |
H11C | 0.5318 | 0.1188 | 0.7214 | 0.071* | |
C12 | 0.3577 (3) | 0.1741 (2) | 0.89199 (19) | 0.0470 (6) | |
H12A | 0.3853 | 0.184 | 0.9473 | 0.071* | |
H12B | 0.3007 | 0.1194 | 0.8999 | 0.071* | |
H12C | 0.3035 | 0.236 | 0.8618 | 0.071* | |
C13 | 0.6934 (2) | 0.68762 (16) | 0.81831 (13) | 0.0315 (5) | |
C14 | 0.8372 (3) | 0.6369 (2) | 0.84889 (17) | 0.0460 (6) | |
H14A | 0.8417 | 0.564 | 0.8549 | 0.069* | |
H14B | 0.8553 | 0.6529 | 0.9038 | 0.069* | |
H14C | 0.9076 | 0.6608 | 0.8078 | 0.069* | |
C15 | 0.6850 (3) | 0.80104 (19) | 0.80386 (17) | 0.0537 (7) | |
H15A | 0.755 | 0.8232 | 0.7617 | 0.081* | |
H15B | 0.7027 | 0.821 | 0.8572 | 0.081* | |
H15C | 0.5919 | 0.8321 | 0.7834 | 0.081* | |
C16 | 0.5838 (3) | 0.6502 (2) | 0.88057 (16) | 0.0526 (7) | |
H16A | 0.491 | 0.678 | 0.8576 | 0.079* | |
H16B | 0.595 | 0.6716 | 0.9342 | 0.079* | |
H16C | 0.5943 | 0.5768 | 0.8903 | 0.079* | |
C17 | 0.7164 (2) | 0.82932 (17) | 0.54831 (14) | 0.0324 (5) | |
C18 | 0.6719 (3) | 0.82716 (18) | 0.45958 (14) | 0.0353 (5) | |
H18A | 0.6582 | 0.7587 | 0.4562 | 0.053* | |
H18B | 0.7443 | 0.8491 | 0.4192 | 0.053* | |
H18C | 0.5845 | 0.8723 | 0.446 | 0.053* | |
C19 | 0.7370 (3) | 0.9354 (2) | 0.55490 (17) | 0.0538 (8) | |
H19A | 0.6499 | 0.9807 | 0.5406 | 0.081* | |
H19B | 0.8106 | 0.9576 | 0.5155 | 0.081* | |
H19C | 0.7639 | 0.9362 | 0.6128 | 0.081* | |
C20 | 0.8493 (3) | 0.7557 (2) | 0.57218 (17) | 0.0497 (7) | |
H20A | 0.8756 | 0.7566 | 0.6302 | 0.075* | |
H20B | 0.9247 | 0.7754 | 0.5333 | 0.075* | |
H20C | 0.8327 | 0.6879 | 0.5684 | 0.075* | |
C21 | 0.2913 (2) | 0.79131 (16) | 0.67126 (13) | 0.0281 (4) | |
C22 | 0.1732 (2) | 0.75394 (18) | 0.72733 (15) | 0.0366 (5) | |
H22A | 0.1611 | 0.6868 | 0.7191 | 0.055* | |
H22B | 0.0869 | 0.7999 | 0.7124 | 0.055* | |
H22C | 0.1955 | 0.751 | 0.7867 | 0.055* | |
C23 | 0.3091 (3) | 0.89734 (16) | 0.68011 (16) | 0.0384 (5) | |
H23A | 0.3248 | 0.8984 | 0.7396 | 0.058* | |
H23B | 0.2247 | 0.9433 | 0.6603 | 0.058* | |
H23C | 0.3892 | 0.9185 | 0.6461 | 0.058* | |
C24 | 0.2664 (2) | 0.78670 (19) | 0.57969 (14) | 0.0376 (5) | |
H24A | 0.3441 | 0.8102 | 0.5446 | 0.056* | |
H24B | 0.1794 | 0.8296 | 0.5601 | 0.056* | |
H24C | 0.2596 | 0.7173 | 0.5753 | 0.056* | |
N1 | 0.5957 (2) | 0.33782 (13) | 0.60817 (12) | 0.0359 (4) | |
H1A | 0.5776 | 0.2776 | 0.6384 | 0.043* | |
H1B | 0.6856 | 0.332 | 0.5896 | 0.043* | |
H1C | 0.5375 | 0.3572 | 0.563 | 0.043* | |
N2 | 0.3802 (2) | 0.44899 (16) | 0.75423 (15) | 0.0262 (7) | 0.736 (5) |
C25 | 0.3889 (6) | 0.4540 (3) | 0.8362 (3) | 0.0312 (9) | 0.736 (5) |
H25 | 0.479 | 0.4512 | 0.8588 | 0.037* | 0.736 (5) |
C26 | 0.2760 (6) | 0.4629 (4) | 0.8896 (4) | 0.0490 (13) | 0.736 (5) |
H26 | 0.2875 | 0.4662 | 0.9472 | 0.059* | 0.736 (5) |
C27 | 0.1466 (4) | 0.4668 (3) | 0.8566 (3) | 0.0498 (11) | 0.736 (5) |
H27 | 0.0657 | 0.473 | 0.891 | 0.06* | 0.736 (5) |
C28 | 0.1354 (6) | 0.4615 (5) | 0.7723 (4) | 0.0406 (13) | 0.736 (5) |
H28 | 0.0461 | 0.4634 | 0.7491 | 0.049* | 0.736 (5) |
C29 | 0.2525 (4) | 0.4534 (2) | 0.7215 (3) | 0.0328 (9) | 0.736 (5) |
C30 | 0.2485 (5) | 0.4491 (4) | 0.6297 (4) | 0.0450 (12) | 0.736 (5) |
H30A | 0.3227 | 0.4855 | 0.6 | 0.059* | 0.736 (5) |
H30B | 0.2708 | 0.3781 | 0.6239 | 0.059* | 0.736 (5) |
C31 | 0.1151 (5) | 0.4913 (6) | 0.5867 (4) | 0.0664 (15) | 0.736 (5) |
H31A | 0.0418 | 0.4526 | 0.6124 | 0.1* | 0.736 (5) |
H31B | 0.1242 | 0.488 | 0.5266 | 0.1* | 0.736 (5) |
H31C | 0.0908 | 0.5614 | 0.5926 | 0.1* | 0.736 (5) |
N2A | 0.3486 (7) | 0.4540 (4) | 0.6852 (4) | 0.0206 (18)* | 0.264 (5) |
C25A | 0.2872 (14) | 0.4509 (10) | 0.6126 (9) | 0.031 (3)* | 0.264 (5) |
H25A | 0.3442 | 0.4423 | 0.5648 | 0.037* | 0.264 (5) |
C26A | 0.149 (2) | 0.4594 (11) | 0.6048 (11) | 0.051 (4)* | 0.264 (5) |
H26A | 0.1109 | 0.4588 | 0.5516 | 0.062* | 0.264 (5) |
C27A | 0.0581 (10) | 0.4694 (7) | 0.6754 (6) | 0.040 (2)* | 0.264 (5) |
H27A | −0.0405 | 0.4776 | 0.6706 | 0.048* | 0.264 (5) |
C28A | 0.1219 (19) | 0.4662 (14) | 0.7485 (10) | 0.029 (4)* | 0.264 (5) |
H28A | 0.0676 | 0.4666 | 0.7986 | 0.035* | 0.264 (5) |
C29A | 0.2690 (11) | 0.4623 (7) | 0.7529 (6) | 0.020 (3)* | 0.264 (5) |
C30A | 0.3392 (15) | 0.4674 (12) | 0.8331 (11) | 0.042 (4)* | 0.264 (5) |
H30C | 0.4009 | 0.403 | 0.8508 | 0.055* | 0.264 (5) |
H30D | 0.4001 | 0.5206 | 0.8194 | 0.055* | 0.264 (5) |
C31A | 0.2567 (19) | 0.4856 (13) | 0.9038 (11) | 0.046 (5)* | 0.264 (5) |
H31D | 0.1969 | 0.5503 | 0.8889 | 0.069* | 0.264 (5) |
H31E | 0.3174 | 0.4872 | 0.9508 | 0.069* | 0.264 (5) |
H31F | 0.1986 | 0.4321 | 0.9208 | 0.069* | 0.264 (5) |
U11 | U22 | U33 | U12 | U13 | U23 | |
Co1 | 0.02190 (15) | 0.01971 (15) | 0.03067 (17) | −0.00157 (10) | −0.00152 (11) | −0.00691 (11) |
S1 | 0.0379 (3) | 0.0223 (3) | 0.0276 (3) | −0.0090 (2) | −0.0064 (2) | −0.0031 (2) |
S2 | 0.0435 (3) | 0.0208 (2) | 0.0240 (3) | −0.0019 (2) | −0.0099 (2) | −0.0064 (2) |
Si1 | 0.0244 (3) | 0.0205 (3) | 0.0218 (3) | −0.0026 (2) | −0.0007 (2) | −0.0038 (2) |
Si2 | 0.0280 (3) | 0.0184 (3) | 0.0206 (3) | −0.0045 (2) | −0.0045 (2) | −0.0038 (2) |
O1 | 0.0353 (8) | 0.0297 (8) | 0.0192 (7) | 0.0039 (6) | −0.0014 (6) | −0.0052 (6) |
O2 | 0.0241 (7) | 0.0270 (7) | 0.0245 (7) | −0.0018 (6) | −0.0008 (6) | −0.0072 (6) |
O3 | 0.0263 (8) | 0.0215 (7) | 0.0388 (9) | −0.0037 (6) | 0.0028 (6) | −0.0062 (6) |
O4 | 0.0370 (8) | 0.0263 (7) | 0.0256 (8) | −0.0024 (6) | −0.0095 (6) | −0.0077 (6) |
O5 | 0.0337 (8) | 0.0227 (7) | 0.0258 (7) | −0.0078 (6) | 0.0021 (6) | −0.0050 (6) |
O6 | 0.0288 (8) | 0.0256 (7) | 0.0247 (7) | −0.0037 (6) | −0.0031 (6) | −0.0017 (6) |
C1 | 0.0408 (13) | 0.0453 (13) | 0.0243 (11) | −0.0008 (10) | −0.0040 (10) | −0.0147 (10) |
C2 | 0.052 (3) | 0.084 (3) | 0.049 (3) | −0.010 (2) | −0.019 (2) | −0.032 (2) |
C3 | 0.097 (5) | 0.060 (3) | 0.025 (2) | 0.029 (3) | −0.021 (2) | −0.0079 (19) |
C4 | 0.048 (2) | 0.060 (3) | 0.0267 (19) | 0.008 (2) | −0.0018 (17) | −0.0206 (18) |
C2A | 0.045 (5) | 0.073 (6) | 0.044 (5) | −0.013 (4) | −0.009 (4) | −0.025 (4) |
C3A | 0.078 (7) | 0.060 (5) | 0.018 (4) | −0.033 (5) | 0.000 (4) | −0.004 (3) |
C4A | 0.070 (6) | 0.046 (4) | 0.023 (4) | 0.002 (4) | −0.004 (4) | −0.007 (3) |
C5 | 0.0271 (11) | 0.0400 (12) | 0.0243 (11) | 0.0043 (9) | 0.0007 (9) | −0.0094 (9) |
C6 | 0.0371 (12) | 0.0437 (13) | 0.0288 (12) | −0.0053 (10) | 0.0037 (10) | −0.0135 (10) |
C7 | 0.0280 (13) | 0.114 (3) | 0.0615 (18) | −0.0116 (15) | 0.0048 (12) | −0.0553 (19) |
C8 | 0.077 (2) | 0.0646 (19) | 0.0452 (17) | 0.0444 (17) | 0.0192 (15) | 0.0118 (14) |
C9 | 0.0294 (11) | 0.0270 (11) | 0.0372 (12) | −0.0096 (9) | 0.0029 (9) | −0.0070 (9) |
C10 | 0.0467 (14) | 0.0264 (11) | 0.0468 (15) | −0.0097 (10) | 0.0034 (11) | −0.0003 (10) |
C11 | 0.0474 (15) | 0.0544 (16) | 0.0437 (15) | −0.0214 (12) | −0.0039 (12) | −0.0089 (12) |
C12 | 0.0364 (13) | 0.0441 (14) | 0.0630 (18) | −0.0132 (11) | 0.0158 (12) | −0.0131 (13) |
C13 | 0.0413 (13) | 0.0319 (11) | 0.0241 (11) | −0.0065 (9) | −0.0114 (9) | −0.0093 (9) |
C14 | 0.0458 (15) | 0.0498 (15) | 0.0453 (15) | −0.0065 (12) | −0.0207 (12) | −0.0133 (12) |
C15 | 0.089 (2) | 0.0349 (13) | 0.0416 (15) | −0.0073 (13) | −0.0243 (14) | −0.0144 (11) |
C16 | 0.0556 (17) | 0.079 (2) | 0.0275 (13) | −0.0196 (15) | −0.0058 (11) | −0.0134 (13) |
C17 | 0.0364 (12) | 0.0371 (12) | 0.0266 (11) | −0.0181 (10) | 0.0026 (9) | −0.0042 (9) |
C18 | 0.0405 (13) | 0.0389 (12) | 0.0277 (12) | −0.0119 (10) | 0.0010 (10) | −0.0052 (10) |
C19 | 0.085 (2) | 0.0494 (16) | 0.0372 (14) | −0.0435 (15) | 0.0105 (14) | −0.0105 (12) |
C20 | 0.0303 (13) | 0.0724 (19) | 0.0436 (15) | −0.0147 (12) | −0.0009 (11) | 0.0009 (13) |
C21 | 0.0276 (11) | 0.0297 (11) | 0.0257 (11) | −0.0006 (9) | −0.0027 (8) | −0.0044 (9) |
C22 | 0.0326 (12) | 0.0446 (13) | 0.0330 (12) | −0.0068 (10) | 0.0025 (10) | −0.0079 (10) |
C23 | 0.0399 (13) | 0.0273 (11) | 0.0465 (14) | 0.0006 (10) | 0.0004 (11) | −0.0076 (10) |
C24 | 0.0344 (12) | 0.0472 (14) | 0.0279 (12) | 0.0034 (10) | −0.0069 (9) | −0.0044 (10) |
N1 | 0.0492 (12) | 0.0247 (9) | 0.0327 (10) | 0.0067 (8) | −0.0174 (9) | −0.0085 (8) |
N2 | 0.0260 (14) | 0.0200 (12) | 0.0311 (15) | 0.0000 (9) | −0.0013 (10) | −0.0031 (10) |
C25 | 0.036 (2) | 0.0311 (19) | 0.0241 (18) | 0.0022 (19) | 0.0007 (18) | −0.0054 (13) |
C26 | 0.053 (3) | 0.045 (3) | 0.039 (3) | 0.015 (2) | 0.001 (2) | 0.000 (2) |
C27 | 0.042 (2) | 0.043 (2) | 0.054 (2) | 0.0097 (16) | 0.0165 (17) | 0.0024 (17) |
C28 | 0.024 (2) | 0.038 (2) | 0.056 (4) | 0.0007 (15) | −0.002 (3) | −0.004 (3) |
C29 | 0.0278 (19) | 0.0229 (16) | 0.048 (2) | 0.0002 (12) | −0.0069 (17) | −0.0090 (16) |
C30 | 0.026 (3) | 0.060 (3) | 0.053 (3) | 0.009 (2) | −0.015 (2) | −0.028 (2) |
C31 | 0.038 (3) | 0.092 (4) | 0.068 (3) | 0.004 (3) | −0.017 (2) | −0.020 (3) |
Co1—N1 | 2.0730 (17) | C14—H14A | 0.98 |
Co1—N2A | 2.081 (6) | C14—H14B | 0.98 |
Co1—N2 | 2.082 (2) | C14—H14C | 0.98 |
Co1—S1 | 2.2967 (6) | C15—H15A | 0.98 |
Co1—S2 | 2.2968 (6) | C15—H15B | 0.98 |
S1—Si1 | 2.0787 (7) | C15—H15C | 0.98 |
S2—Si2 | 2.0899 (7) | C16—H16A | 0.98 |
Si1—O1 | 1.6298 (15) | C16—H16B | 0.98 |
Si1—O3 | 1.6332 (15) | C16—H16C | 0.98 |
Si1—O2 | 1.6395 (14) | C17—C18 | 1.515 (3) |
Si2—O4 | 1.6240 (15) | C17—C19 | 1.522 (3) |
Si2—O6 | 1.6293 (15) | C17—C20 | 1.529 (4) |
Si2—O5 | 1.6328 (14) | C18—H18A | 0.98 |
O1—C1 | 1.440 (2) | C18—H18B | 0.98 |
O2—C5 | 1.446 (2) | C18—H18C | 0.98 |
O3—C9 | 1.448 (2) | C19—H19A | 0.98 |
O4—C13 | 1.446 (2) | C19—H19B | 0.98 |
O5—C17 | 1.438 (3) | C19—H19C | 0.98 |
O6—C21 | 1.444 (2) | C20—H20A | 0.98 |
C1—C3 | 1.440 (5) | C20—H20B | 0.98 |
C1—C4A | 1.447 (8) | C20—H20C | 0.98 |
C1—C2 | 1.532 (5) | C21—C22 | 1.518 (3) |
C1—C4 | 1.540 (4) | C21—C24 | 1.519 (3) |
C1—C3A | 1.593 (8) | C21—C23 | 1.524 (3) |
C1—C2A | 1.608 (8) | C22—H22A | 0.98 |
C2—H2A | 0.98 | C22—H22B | 0.98 |
C2—H2B | 0.98 | C22—H22C | 0.98 |
C2—H2C | 0.98 | C23—H23A | 0.98 |
C3—H3A | 0.98 | C23—H23B | 0.98 |
C3—H3B | 0.98 | C23—H23C | 0.98 |
C3—H3C | 0.98 | C24—H24A | 0.98 |
C4—H4A | 0.98 | C24—H24B | 0.98 |
C4—H4B | 0.98 | C24—H24C | 0.98 |
C4—H4C | 0.98 | N1—H1A | 0.91 |
C2A—H2D | 0.98 | N1—H1B | 0.91 |
C2A—H2E | 0.98 | N1—H1C | 0.91 |
C2A—H2F | 0.98 | N2—C25 | 1.343 (5) |
C3A—H3D | 0.98 | N2—C29 | 1.350 (5) |
C3A—H3E | 0.98 | C25—C26 | 1.377 (7) |
C3A—H3F | 0.98 | C25—H25 | 0.95 |
C4A—H4D | 0.98 | C26—C27 | 1.369 (7) |
C4A—H4E | 0.98 | C26—H26 | 0.95 |
C4A—H4F | 0.98 | C27—C28 | 1.384 (8) |
C5—C7 | 1.514 (4) | C27—H27 | 0.95 |
C5—C8 | 1.516 (4) | C28—C29 | 1.382 (7) |
C5—C6 | 1.516 (3) | C28—H28 | 0.95 |
C6—H6A | 0.98 | C29—C30 | 1.496 (7) |
C6—H6B | 0.98 | C30—C31 | 1.475 (6) |
C6—H6C | 0.98 | C30—H30A | 0.99 |
C7—H7A | 0.98 | C30—H30B | 0.99 |
C7—H7B | 0.98 | C31—H31A | 0.98 |
C7—H7C | 0.98 | C31—H31B | 0.98 |
C8—H8A | 0.98 | C31—H31C | 0.98 |
C8—H8B | 0.98 | N2A—C29A | 1.330 (12) |
C8—H8C | 0.98 | N2A—C25A | 1.343 (17) |
C9—C11 | 1.517 (3) | C25A—C26A | 1.33 (2) |
C9—C10 | 1.519 (3) | C25A—H25A | 0.95 |
C9—C12 | 1.519 (3) | C26A—C27A | 1.434 (19) |
C10—H10A | 0.98 | C26A—H26A | 0.95 |
C10—H10B | 0.98 | C27A—C28A | 1.340 (19) |
C10—H10C | 0.98 | C27A—H27A | 0.95 |
C11—H11A | 0.98 | C28A—C29A | 1.42 (2) |
C11—H11B | 0.98 | C28A—H28A | 0.95 |
C11—H11C | 0.98 | C29A—C30A | 1.50 (2) |
C12—H12A | 0.98 | C30A—C31A | 1.41 (2) |
C12—H12B | 0.98 | C30A—H30C | 0.99 |
C12—H12C | 0.98 | C30A—H30D | 0.99 |
C13—C16 | 1.511 (4) | C31A—H31D | 0.98 |
C13—C14 | 1.518 (3) | C31A—H31E | 0.98 |
C13—C15 | 1.519 (3) | C31A—H31F | 0.98 |
N1—Co1—N2A | 94.65 (18) | C13—C14—H14A | 109.5 |
N1—Co1—N2 | 116.09 (9) | C13—C14—H14B | 109.5 |
N2A—Co1—N2 | 32.07 (18) | H14A—C14—H14B | 109.5 |
N1—Co1—S1 | 104.82 (5) | C13—C14—H14C | 109.5 |
N2A—Co1—S1 | 136.83 (17) | H14A—C14—H14C | 109.5 |
N2—Co1—S1 | 105.70 (7) | H14B—C14—H14C | 109.5 |
N1—Co1—S2 | 101.12 (6) | C13—C15—H15A | 109.5 |
N2A—Co1—S2 | 97.03 (17) | C13—C15—H15B | 109.5 |
N2—Co1—S2 | 113.31 (6) | H15A—C15—H15B | 109.5 |
S1—Co1—S2 | 115.85 (2) | C13—C15—H15C | 109.5 |
Si1—S1—Co1 | 100.10 (3) | H15A—C15—H15C | 109.5 |
Si2—S2—Co1 | 103.26 (3) | H15B—C15—H15C | 109.5 |
O1—Si1—O3 | 112.92 (8) | C13—C16—H16A | 109.5 |
O1—Si1—O2 | 105.15 (7) | C13—C16—H16B | 109.5 |
O3—Si1—O2 | 104.91 (8) | H16A—C16—H16B | 109.5 |
O1—Si1—S1 | 113.09 (6) | C13—C16—H16C | 109.5 |
O3—Si1—S1 | 107.06 (6) | H16A—C16—H16C | 109.5 |
O2—Si1—S1 | 113.54 (6) | H16B—C16—H16C | 109.5 |
O4—Si2—O6 | 106.16 (8) | O5—C17—C18 | 108.30 (17) |
O4—Si2—O5 | 112.39 (8) | O5—C17—C19 | 105.48 (18) |
O6—Si2—O5 | 105.35 (7) | C18—C17—C19 | 110.2 (2) |
O4—Si2—S2 | 107.19 (6) | O5—C17—C20 | 111.37 (18) |
O6—Si2—S2 | 114.89 (6) | C18—C17—C20 | 110.3 (2) |
O5—Si2—S2 | 110.89 (6) | C19—C17—C20 | 111.1 (2) |
C1—O1—Si1 | 134.13 (13) | C17—C18—H18A | 109.5 |
C5—O2—Si1 | 130.97 (13) | C17—C18—H18B | 109.5 |
C9—O3—Si1 | 132.79 (13) | H18A—C18—H18B | 109.5 |
C13—O4—Si2 | 132.73 (13) | C17—C18—H18C | 109.5 |
C17—O5—Si2 | 132.12 (13) | H18A—C18—H18C | 109.5 |
C21—O6—Si2 | 132.54 (13) | H18B—C18—H18C | 109.5 |
C3—C1—O1 | 107.3 (2) | C17—C19—H19A | 109.5 |
C3—C1—C4A | 130.5 (4) | C17—C19—H19B | 109.5 |
O1—C1—C4A | 121.5 (3) | H19A—C19—H19B | 109.5 |
C3—C1—C2 | 114.2 (4) | C17—C19—H19C | 109.5 |
O1—C1—C2 | 105.0 (2) | H19A—C19—H19C | 109.5 |
C4A—C1—C2 | 62.1 (4) | H19B—C19—H19C | 109.5 |
C3—C1—C4 | 113.2 (3) | C17—C20—H20A | 109.5 |
O1—C1—C4 | 108.3 (2) | C17—C20—H20B | 109.5 |
C2—C1—C4 | 108.3 (3) | H20A—C20—H20B | 109.5 |
O1—C1—C3A | 106.4 (3) | C17—C20—H20C | 109.5 |
C4A—C1—C3A | 109.6 (5) | H20A—C20—H20C | 109.5 |
C2—C1—C3A | 146.3 (4) | H20B—C20—H20C | 109.5 |
O1—C1—C2A | 107.3 (3) | O6—C21—C22 | 105.35 (17) |
C4A—C1—C2A | 108.7 (5) | O6—C21—C24 | 110.69 (17) |
C4—C1—C2A | 144.1 (3) | C22—C21—C24 | 110.61 (18) |
C3A—C1—C2A | 101.4 (5) | O6—C21—C23 | 108.24 (17) |
C1—C2—H2A | 109.5 | C22—C21—C23 | 110.73 (18) |
C1—C2—H2B | 109.5 | C24—C21—C23 | 111.06 (19) |
C1—C2—H2C | 109.5 | C21—C22—H22A | 109.5 |
C1—C3—H3A | 109.5 | C21—C22—H22B | 109.5 |
C1—C3—H3B | 109.5 | H22A—C22—H22B | 109.5 |
C1—C3—H3C | 109.5 | C21—C22—H22C | 109.5 |
C1—C4—H4A | 109.5 | H22A—C22—H22C | 109.5 |
C1—C4—H4B | 109.5 | H22B—C22—H22C | 109.5 |
C1—C4—H4C | 109.5 | C21—C23—H23A | 109.5 |
C1—C2A—H2D | 109.5 | C21—C23—H23B | 109.5 |
C1—C2A—H2E | 109.5 | H23A—C23—H23B | 109.5 |
H2D—C2A—H2E | 109.5 | C21—C23—H23C | 109.5 |
C1—C2A—H2F | 109.5 | H23A—C23—H23C | 109.5 |
H2D—C2A—H2F | 109.5 | H23B—C23—H23C | 109.5 |
H2E—C2A—H2F | 109.5 | C21—C24—H24A | 109.5 |
C1—C3A—H3D | 109.5 | C21—C24—H24B | 109.5 |
C1—C3A—H3E | 109.5 | H24A—C24—H24B | 109.5 |
H3D—C3A—H3E | 109.5 | C21—C24—H24C | 109.5 |
C1—C3A—H3F | 109.5 | H24A—C24—H24C | 109.5 |
H3D—C3A—H3F | 109.5 | H24B—C24—H24C | 109.5 |
H3E—C3A—H3F | 109.5 | Co1—N1—H1A | 109.5 |
C1—C4A—H4D | 109.5 | Co1—N1—H1B | 109.5 |
C1—C4A—H4E | 109.5 | H1A—N1—H1B | 109.5 |
H4D—C4A—H4E | 109.5 | Co1—N1—H1C | 109.5 |
C1—C4A—H4F | 109.5 | H1A—N1—H1C | 109.5 |
H4D—C4A—H4F | 109.5 | H1B—N1—H1C | 109.5 |
H4E—C4A—H4F | 109.5 | C25—N2—C29 | 118.2 (4) |
O2—C5—C7 | 111.27 (18) | C25—N2—Co1 | 117.2 (3) |
O2—C5—C8 | 107.68 (19) | C29—N2—Co1 | 124.5 (2) |
C7—C5—C8 | 112.2 (3) | N2—C25—C26 | 124.4 (5) |
O2—C5—C6 | 105.45 (17) | N2—C25—H25 | 117.8 |
C7—C5—C6 | 109.6 (2) | C26—C25—H25 | 117.8 |
C8—C5—C6 | 110.4 (2) | C27—C26—C25 | 117.5 (5) |
C5—C6—H6A | 109.5 | C27—C26—H26 | 121.3 |
C5—C6—H6B | 109.5 | C25—C26—H26 | 121.3 |
H6A—C6—H6B | 109.5 | C26—C27—C28 | 119.1 (4) |
C5—C6—H6C | 109.5 | C26—C27—H27 | 120.5 |
H6A—C6—H6C | 109.5 | C28—C27—H27 | 120.5 |
H6B—C6—H6C | 109.5 | C29—C28—C27 | 120.9 (5) |
C5—C7—H7A | 109.5 | C29—C28—H28 | 119.6 |
C5—C7—H7B | 109.5 | C27—C28—H28 | 119.6 |
H7A—C7—H7B | 109.5 | N2—C29—C28 | 120.1 (5) |
C5—C7—H7C | 109.5 | N2—C29—C30 | 116.0 (4) |
H7A—C7—H7C | 109.5 | C28—C29—C30 | 123.9 (5) |
H7B—C7—H7C | 109.5 | C31—C30—C29 | 115.6 (4) |
C5—C8—H8A | 109.5 | C31—C30—H30A | 108.4 |
C5—C8—H8B | 109.5 | C29—C30—H30A | 108.4 |
H8A—C8—H8B | 109.5 | C31—C30—H30B | 108.4 |
C5—C8—H8C | 109.5 | C29—C30—H30B | 108.4 |
H8A—C8—H8C | 109.5 | H30A—C30—H30B | 107.5 |
H8B—C8—H8C | 109.5 | C29A—N2A—C25A | 118.7 (9) |
O3—C9—C11 | 107.79 (18) | C29A—N2A—Co1 | 124.1 (6) |
O3—C9—C10 | 111.75 (18) | C25A—N2A—Co1 | 117.2 (7) |
C11—C9—C10 | 110.4 (2) | C26A—C25A—N2A | 122.5 (13) |
O3—C9—C12 | 105.68 (17) | C26A—C25A—H25A | 118.7 |
C11—C9—C12 | 110.5 (2) | N2A—C25A—H25A | 118.7 |
C10—C9—C12 | 110.6 (2) | C25A—C26A—C27A | 121.3 (15) |
C9—C10—H10A | 109.5 | C25A—C26A—H26A | 119.3 |
C9—C10—H10B | 109.5 | C27A—C26A—H26A | 119.3 |
H10A—C10—H10B | 109.5 | C28A—C27A—C26A | 115.1 (13) |
C9—C10—H10C | 109.5 | C28A—C27A—H27A | 122.4 |
H10A—C10—H10C | 109.5 | C26A—C27A—H27A | 122.4 |
H10B—C10—H10C | 109.5 | C27A—C28A—C29A | 121.6 (15) |
C9—C11—H11A | 109.5 | C27A—C28A—H28A | 119.2 |
C9—C11—H11B | 109.5 | C29A—C28A—H28A | 119.2 |
H11A—C11—H11B | 109.5 | N2A—C29A—C28A | 120.5 (11) |
C9—C11—H11C | 109.5 | N2A—C29A—C30A | 117.9 (10) |
H11A—C11—H11C | 109.5 | C28A—C29A—C30A | 121.6 (11) |
H11B—C11—H11C | 109.5 | C31A—C30A—C29A | 119.3 (13) |
C9—C12—H12A | 109.5 | C31A—C30A—H30C | 107.5 |
C9—C12—H12B | 109.5 | C29A—C30A—H30C | 107.5 |
H12A—C12—H12B | 109.5 | C31A—C30A—H30D | 107.5 |
C9—C12—H12C | 109.5 | C29A—C30A—H30D | 107.5 |
H12A—C12—H12C | 109.5 | H30C—C30A—H30D | 107 |
H12B—C12—H12C | 109.5 | C30A—C31A—H31D | 109.5 |
O4—C13—C16 | 108.31 (18) | C30A—C31A—H31E | 109.5 |
O4—C13—C14 | 105.12 (18) | H31D—C31A—H31E | 109.5 |
C16—C13—C14 | 110.0 (2) | C30A—C31A—H31F | 109.5 |
O4—C13—C15 | 110.79 (18) | H31D—C31A—H31F | 109.5 |
C16—C13—C15 | 111.4 (2) | H31E—C31A—H31F | 109.5 |
C14—C13—C15 | 111.0 (2) |
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1C···S2i | 0.91 | 2.63 | 3.5283 (19) | 168 |
Symmetry code: (i) −x+1, −y+1, −z+1. |
Experimental details
Crystal data | |
Chemical formula | [Co(C12H27O3SSi)2(C7H9N)(NH3)] |
Mr | 742.09 |
Crystal system, space group | Triclinic, P1 |
Temperature (K) | 120 |
a, b, c (Å) | 9.6939 (4), 13.7249 (6), 16.1266 (6) |
α, β, γ (°) | 78.605 (4), 88.106 (3), 81.830 (4) |
V (Å3) | 2081.94 (15) |
Z | 2 |
Radiation type | Mo Kα |
µ (mm−1) | 0.61 |
Crystal size (mm) | 0.26 × 0.11 × 0.04 |
Data collection | |
Diffractometer | Kuma KM-4-CCD κ-geometry |
Absorption correction | Analytical (CrysAlis RED; Oxford Diffraction, 2005) |
Tmin, Tmax | 0.787, 0.944 |
No. of measured, independent and observed [I > 2σ(I)] reflections | 13393, 7322, 6247 |
Rint | 0.025 |
(sin θ/λ)max (Å−1) | 0.596 |
Refinement | |
R[F2 > 2σ(F2)], wR(F2), S | 0.035, 0.095, 1.08 |
No. of reflections | 7322 |
No. of parameters | 482 |
H-atom treatment | H-atom parameters constrained |
Δρmax, Δρmin (e Å−3) | 0.39, −0.31 |
Computer programs: CrysAlis CCD (Oxford Diffraction, 2005), CrysAlis RED (Oxford Diffraction, 2005), CrysAlis RED, SHELXS97 (Sheldrick, 1997), SHELXL97 (Sheldrick, 1997), ORTEP-3 for Windows (Farrugia, 1997), WinGX (Farrugia, 1999).
D—H···A | D—H | H···A | D···A | D—H···A |
N1—H1C···S2i | 0.91 | 2.63 | 3.5283 (19) | 168 |
Symmetry code: (i) −x+1, −y+1, −z+1. |
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Complexes of transition metals with sulfur and nitrogen ligands serve as biological models of histidine-metal-cysteine centers found in zinc metalloproteins (Corwin et al., 1987; Kimblin et al., 2000). However, "spectroscopic silence" of zinc thiolates prevents the use of spectral experiments for simulation of enzymatic reactions in solution, i.e. direct measurement of the loss of substrate or product concentration increase. Since, cobalt and zinc coordination chemistry is similar and changes in coordination environment of cobalt complexes can be monitored by UV-VIS, we decided to synthesize appropriate cobalt complexes which could replace adequate complexes of zinc in spectral experiments. The objective of our research is exploration of the syntheses, geometrical structures and reactivity of model complexes. We have synthesized and characterized structurally several cobalt (II) silanethiolates with pyridine and pyridine related ligands (Becker et al., 2002 and the references cited therein; Pladzyk & Baranowska, 2006).
The title complex (Fig. 1), with CoN2S2 core and tetrahedrally coordinated cobalt (II), is similar to [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)], obtained earlier (Becker et al., 2002). However, ethyl substituent on the pyridine ring forces different spatial arrangement of the ligands and, in consequence, intermolecular hydrogen bond can be formed between sulfur atom and ammonia nitrogen with the N···S distance of 3.528 (2) Å, while in [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)] two N···O hydrogen bonds were present. The reorganization of ligands in the title compound involves mainly changes in the N2–Co1–N2 and S1–Co1–S2 angles, which in comparison with [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)], are wider by approximately 6–7 ° in (I). The remaining N–Co–S, Si–S–Co angles are slightly smaller than those found in [Co{SSi(OtBu)3}2(NH3)(2-methylpyridine)].