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A one-dimensional chiral cobalt(II) coordination polymer, namely, catena-poly[[[(S)-2-amino-3-hydroxypropanoato-κ2N,O1]cobalt(II)]-μ-(S)-2-amino-3-hydroxypropanoato-κ4O1,O3:N,O1′], [Co(C3H6NO3)2]n or Δ-[Co(L-Ser-κ2N,O)2]n (L-Ser = L-serine) (1), has been synthesized and characterized using elemental and thermal analyses, IR spectroscopy and single-crystal and powder X-ray diffraction techniques. The asymmetric unit of 1 consists of two serine anions which are coordinated to a Co2+ ion to give three chelate rings. These extend the structure into a helical chain with pendant chelate rings which participate in interchain hydrogen bonding. The ability of 1 to undergo transmetallation was evaluated. Among a range of divalent metal ions, only copper(II) partially replaced cobalt(II).
Supporting information
CCDC reference: 2051249
Data collection: APEX3 (Bruker, 2018); cell refinement: SAINT (Bruker, 2017); data reduction: SAINT (Bruker 2017); program(s) used to solve structure: SHELXS2017 (Sheldrick, 2008); program(s) used to refine structure: SHELXL2017 (Sheldrick, 2015); molecular graphics: X-SEED (Barbour, 2020); software used to prepare material for publication: SHELXL2017 (Sheldrick, 2015).
catena-Poly[[[(
S)-2-amino-3-hydroxypropanoato-
κ2N,
O1]cobalt(II)]-µ-(
S)-2-amino-3-hydroxypropanoato-
κ4O1,
O3:
N,
O1']
top
Crystal data top
[Co(C3H6NO3)2] | F(000) = 274 |
Mr = 267.11 | Dx = 1.891 Mg m−3 |
Monoclinic, P21 | Mo Kα radiation, λ = 0.71073 Å |
a = 5.5666 (4) Å | Cell parameters from 11159 reflections |
b = 8.7105 (6) Å | θ = 2.1–28.4° |
c = 9.8314 (7) Å | µ = 1.84 mm−1 |
β = 100.311 (1)° | T = 173 K |
V = 469.01 (6) Å3 | Block, red purple |
Z = 2 | 0.24 × 0.24 × 0.22 mm |
Data collection top
Bruker Kappa DUO APEXII diffractometer | 2293 reflections with I > 2σ(I) |
Radiation source: fine-focus sealed tube | Rint = 0.034 |
1.2°φ scans and ω scans | θmax = 28.4°, θmin = 2.1° |
Absorption correction: multi-scan (SADABS; Krause et al., 2015) | h = −7→7 |
| k = −11→11 |
11159 measured reflections | l = −13→13 |
2353 independent reflections | |
Refinement top
Refinement on F2 | Hydrogen site location: mixed |
Least-squares matrix: full | H atoms treated by a mixture of independent and constrained refinement |
R[F2 > 2σ(F2)] = 0.021 | w = 1/[σ2(Fo2) + (0.0277P)2] where P = (Fo2 + 2Fc2)/3 |
wR(F2) = 0.048 | (Δ/σ)max < 0.001 |
S = 1.03 | Δρmax = 0.23 e Å−3 |
2353 reflections | Δρmin = −0.20 e Å−3 |
140 parameters | Absolute structure: Flack x determined using 1028 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons et al., 2013) |
1 restraint | Absolute structure parameter: −0.001 (11) |
Special details top
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes. |
Refinement. For single-crystal structure refinement, data collections were performed on a
Bruker KAPPA APEXII Duo diffractometer using Mo <i.Kα (λ =
0.71069 Å). Unit-cell refinement and data reduction were performed using the
program SAINT (Bruker, 2017). Data were corrected for Lorentz polarisation
effects and for absorption using the program SADABS (Krause et al.,
2015). The structure was solved by direct methods and refined by full-matrix
least squares on F2 in the SHELX (Sheldrick, 2008) suite of programs
within the X-SEED (Barbour, 2020) interface. All non-H atoms were refined with
anisotropic displacement parameters |
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top | x | y | z | Uiso*/Ueq | |
Co1 | 0.48448 (5) | 0.83382 (4) | 0.19408 (3) | 0.01158 (9) | |
O1B | 0.2501 (3) | 0.9135 (2) | 0.32539 (18) | 0.0174 (4) | |
N1A | 0.2297 (4) | 0.6561 (2) | 0.1290 (2) | 0.0128 (4) | |
H1A1 | 0.215527 | 0.595708 | 0.202630 | 0.015* | |
H1A2 | 0.080814 | 0.698107 | 0.096482 | 0.015* | |
O2A | 0.6827 (3) | 0.4777 (2) | −0.03844 (19) | 0.0173 (4) | |
O2B | 0.1688 (4) | 0.9107 (3) | 0.5386 (2) | 0.0252 (4) | |
C2B | 0.5014 (5) | 0.7575 (3) | 0.4964 (3) | 0.0164 (5) | |
H2B | 0.425786 | 0.654164 | 0.502740 | 0.020* | |
C1B | 0.2929 (5) | 0.8712 (3) | 0.4518 (3) | 0.0155 (5) | |
C2A | 0.3049 (4) | 0.5612 (3) | 0.0202 (3) | 0.0128 (5) | |
H2A | 0.261472 | 0.451547 | 0.033510 | 0.015* | |
O3B | 0.7553 (4) | 0.9428 (2) | 0.6409 (2) | 0.0254 (5) | |
H3B | 0.880303 | 0.937581 | 0.604197 | 0.030* | |
N1B | 0.6587 (4) | 0.7465 (3) | 0.3906 (2) | 0.0162 (5) | |
H1B1 | 0.699717 | 0.646471 | 0.380866 | 0.019* | |
H1B2 | 0.798857 | 0.799991 | 0.419787 | 0.019* | |
C3B | 0.6445 (5) | 0.7949 (3) | 0.6386 (3) | 0.0214 (6) | |
H3B1 | 0.533739 | 0.792153 | 0.706907 | 0.026* | |
H3B2 | 0.772685 | 0.716300 | 0.665458 | 0.026* | |
O1A | 0.6898 (3) | 0.6873 (2) | 0.09082 (19) | 0.0168 (4) | |
C1A | 0.5799 (5) | 0.5750 (3) | 0.0258 (3) | 0.0122 (5) | |
O3A | 0.2204 (4) | 0.5083 (2) | −0.22685 (19) | 0.0166 (4) | |
H3A2 | 0.099 (7) | 0.477 (4) | −0.251 (3) | 0.020* | |
C3A | 0.1783 (5) | 0.6157 (3) | −0.1223 (3) | 0.0150 (5) | |
H1 | 0.000691 | 0.625528 | −0.123775 | 0.018* | |
H2 | 0.242032 | 0.717924 | −0.141951 | 0.018* | |
Atomic displacement parameters (Å2) top | U11 | U22 | U33 | U12 | U13 | U23 |
Co1 | 0.01072 (14) | 0.01198 (13) | 0.01185 (15) | 0.00105 (14) | 0.00152 (10) | 0.00012 (15) |
O1B | 0.0164 (9) | 0.0197 (9) | 0.0156 (9) | 0.0055 (7) | 0.0016 (7) | −0.0012 (7) |
N1A | 0.0112 (10) | 0.0148 (9) | 0.0128 (11) | 0.0003 (8) | 0.0031 (8) | 0.0003 (8) |
O2A | 0.0114 (8) | 0.0196 (9) | 0.0204 (9) | 0.0009 (7) | 0.0018 (7) | −0.0081 (8) |
O2B | 0.0215 (10) | 0.0339 (11) | 0.0222 (10) | 0.0010 (9) | 0.0097 (8) | −0.0048 (9) |
C2B | 0.0192 (12) | 0.0157 (12) | 0.0152 (12) | −0.0013 (10) | 0.0048 (10) | 0.0001 (10) |
C1B | 0.0150 (11) | 0.0150 (13) | 0.0167 (12) | −0.0023 (8) | 0.0032 (9) | −0.0031 (9) |
C2A | 0.0103 (11) | 0.0147 (11) | 0.0133 (12) | 0.0006 (9) | 0.0022 (9) | −0.0001 (9) |
O3B | 0.0195 (10) | 0.0284 (11) | 0.0287 (11) | −0.0030 (8) | 0.0057 (9) | −0.0141 (9) |
N1B | 0.0175 (10) | 0.0173 (11) | 0.0137 (11) | 0.0037 (9) | 0.0024 (8) | −0.0008 (8) |
C3B | 0.0247 (14) | 0.0257 (16) | 0.0132 (13) | 0.0015 (10) | 0.0016 (10) | 0.0016 (10) |
O1A | 0.0100 (8) | 0.0183 (8) | 0.0220 (10) | −0.0009 (7) | 0.0020 (7) | −0.0074 (7) |
C1A | 0.0103 (11) | 0.0148 (11) | 0.0113 (12) | 0.0016 (9) | 0.0015 (9) | 0.0004 (9) |
O3A | 0.0133 (9) | 0.0198 (9) | 0.0160 (9) | 0.0003 (8) | 0.0006 (7) | −0.0048 (7) |
C3A | 0.0133 (12) | 0.0163 (12) | 0.0148 (13) | 0.0023 (9) | 0.0008 (10) | −0.0013 (10) |
Geometric parameters (Å, º) top
Co1—O1A | 2.0930 (19) | O2B—C1B | 1.239 (3) |
Co1—O1B | 2.1102 (19) | C2B—N1B | 1.478 (4) |
Co1—O2Ai | 2.0658 (18) | C2B—C3B | 1.515 (4) |
Co1—O3Ai | 2.2183 (19) | C2B—C1B | 1.530 (4) |
Co1—N1A | 2.119 (2) | C2A—C3A | 1.527 (3) |
Co1—N1B | 2.140 (2) | C2A—C1A | 1.527 (4) |
O1B—C1B | 1.277 (3) | O3B—C3B | 1.427 (3) |
N1A—C2A | 1.470 (3) | O1A—C1A | 1.265 (3) |
O2A—C1A | 1.255 (3) | O3A—C3A | 1.440 (3) |
| | | |
O1A—Co1—N1A | 78.60 (8) | N1B—C2B—C3B | 112.5 (2) |
O1B—Co1—N1B | 78.14 (8) | N1B—C2B—C1B | 110.8 (2) |
O2Ai—Co1—O3Ai | 85.17 (7) | C3B—C2B—C1B | 111.8 (2) |
O1A—Co1—O1B | 161.50 (7) | O2B—C1B—O1B | 124.1 (2) |
N1A—Co1—O3Ai | 169.15 (8) | O2B—C1B—C2B | 118.0 (2) |
O2Ai—Co1—N1B | 162.83 (8) | O1B—C1B—C2B | 117.8 (2) |
O2Ai—Co1—O1A | 102.90 (7) | N1A—C2A—C3A | 110.4 (2) |
O2Ai—Co1—O1B | 90.45 (7) | N1A—C2A—C1A | 110.1 (2) |
O2Ai—Co1—N1A | 91.77 (8) | C3A—C2A—C1A | 107.7 (2) |
O1B—Co1—N1A | 88.37 (8) | C2B—N1B—Co1 | 112.50 (16) |
O1A—Co1—N1B | 91.29 (8) | O3B—C3B—C2B | 111.3 (2) |
N1A—Co1—N1B | 100.58 (8) | C1A—O1A—Co1 | 117.37 (17) |
O1A—Co1—O3Ai | 91.92 (7) | O2A—C1A—O1A | 123.7 (2) |
O1B—Co1—O3Ai | 102.04 (7) | O2A—C1A—C2A | 118.2 (2) |
N1B—Co1—O3Ai | 84.73 (8) | O1A—C1A—C2A | 118.1 (2) |
C1B—O1B—Co1 | 118.21 (16) | C3A—O3A—Co1ii | 123.54 (15) |
C2A—N1A—Co1 | 111.59 (15) | O3A—C3A—C2A | 110.21 (19) |
C1A—O2A—Co1ii | 126.67 (16) | | |
Symmetry codes: (i) −x+1, y+1/2, −z; (ii) −x+1, y−1/2, −z. |
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