Download citation
Download citation
link to html
In the title compound, [Zn(C24H29N2O2S)2], the Zn atom is four-coordinated by the N atoms of the sulfonamide and quinoline groups. The crystal packing is stabilized by inter­molecular C—H...O hydrogen bonds.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S1600536806004855/bt2003sup1.cif
Contains datablocks I, global

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S1600536806004855/bt2003Isup2.hkl
Contains datablock I

CCDC reference: 601116

Key indicators

  • Single-crystal X-ray study
  • T = 100 K
  • Mean [sigma](C-C) = 0.003 Å
  • R factor = 0.039
  • wR factor = 0.102
  • Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level C CRYSC01_ALERT_1_C The word below has not been recognised as a standard identifier. bright PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.96
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Computing details top

Data collection: CrysAlis CCD (Oxford Diffraction, 2004); cell refinement: CrysAlis RED (Oxford Diffraction, 2004); data reduction: CrysAlis RED; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: PLATON (Spek, 2003); software used to prepare material for publication: SHELXL97.

Bis[2,4,6-triisopropyl-N-(quinolin-8-yl)benzenesulfonamidato-κ2N,N']zinc(II) top
Crystal data top
[Zn(C24H29N2O2S)2]Z = 2
Mr = 884.47F(000) = 936
Triclinic, P1Dx = 1.358 Mg m3
Hall symbol: -P 1Mo Kα radiation, λ = 0.71073 Å
a = 9.9732 (6) ÅCell parameters from 7555 reflections
b = 14.3281 (8) Åθ = 2.2–27.6°
c = 17.0425 (8) ŵ = 0.71 mm1
α = 71.723 (5)°T = 100 K
β = 79.277 (4)°Prism, bright yellow
γ = 69.875 (5)°0.36 × 0.34 × 0.22 mm
V = 2162.9 (2) Å3
Data collection top
Oxford Diffraction Xcalibur with Sapphire CCD detector
diffractometer
8527 independent reflections
Radiation source: fine-focus sealed tube7417 reflections with I > 2σ(I)
Graphite monochromatorRint = 0.028
Rotation method data acquisition using ω and φ scansθmax = 26.4°, θmin = 4.1°
Absorption correction: analytical
(CrysAlis RED–CCD; Oxford Diffraction, 2004)
h = 1112
Tmin = 0.803, Tmax = 0.900k = 1317
15135 measured reflectionsl = 2021
Refinement top
Refinement on F2Primary atom site location: structure-invariant direct methods
Least-squares matrix: fullSecondary atom site location: difference Fourier map
R[F2 > 2σ(F2)] = 0.039Hydrogen site location: inferred from neighbouring sites
wR(F2) = 0.102H-atom parameters constrained
S = 1.08 w = 1/[σ2(Fo2) + (0.0529P)2 + 1.6914P]
where P = (Fo2 + 2Fc2)/3
8527 reflections(Δ/σ)max = 0.001
532 parametersΔρmax = 0.70 e Å3
0 restraintsΔρmin = 0.64 e Å3
Special details top

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.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
C10.7342 (2)0.35575 (17)0.13015 (14)0.0194 (4)
H10.80570.29120.14740.023*
C20.7669 (2)0.42954 (18)0.05860 (14)0.0224 (5)
H20.85790.41420.02800.027*
C30.6661 (2)0.52321 (18)0.03391 (14)0.0207 (5)
H30.68630.57350.01440.025*
C40.5316 (2)0.54511 (16)0.08045 (13)0.0169 (4)
C50.4237 (2)0.64180 (17)0.06052 (13)0.0200 (5)
H50.43880.69580.01390.024*
C60.2972 (2)0.65592 (17)0.10983 (13)0.0208 (5)
H60.22530.72100.09700.025*
C70.2699 (2)0.57786 (16)0.17848 (13)0.0178 (4)
H70.17950.59060.21000.021*
C80.3720 (2)0.48281 (15)0.20113 (12)0.0140 (4)
C90.5057 (2)0.46621 (16)0.15080 (13)0.0149 (4)
C100.0819 (2)0.47103 (15)0.34186 (12)0.0131 (4)
C110.0015 (2)0.56688 (16)0.35801 (12)0.0144 (4)
C120.1479 (2)0.59101 (16)0.36728 (13)0.0162 (4)
H120.20330.65310.38150.019*
C130.2186 (2)0.52858 (16)0.35665 (12)0.0163 (4)
C140.1356 (2)0.44076 (16)0.33199 (13)0.0167 (4)
H140.18300.40050.31950.020*
C150.0129 (2)0.40910 (15)0.32477 (12)0.0138 (4)
C160.0617 (2)0.64964 (16)0.36337 (13)0.0172 (4)
H160.16610.62940.34430.021*
C170.0472 (3)0.65508 (19)0.45295 (14)0.0248 (5)
H17A0.05410.67120.47420.030*
H17B0.08500.70910.45470.030*
H17C0.10150.58840.48740.030*
C180.0108 (2)0.75524 (17)0.30580 (15)0.0231 (5)
H18A0.03480.80540.30690.028*
H18B0.11270.77830.32470.028*
H18C0.00060.74940.24910.028*
C190.3814 (2)0.55445 (17)0.36640 (13)0.0176 (4)
H190.40440.48810.39170.021*
C200.4581 (2)0.6251 (2)0.42206 (16)0.0290 (5)
H20A0.44490.69330.39630.035*
H20B0.41820.59570.47610.035*
H20C0.56060.63210.42970.035*
C210.4387 (2)0.6011 (2)0.28080 (14)0.0247 (5)
H21A0.38730.55550.24520.030*
H21B0.42420.66890.25600.030*
H21C0.54120.60870.28640.030*
C220.0901 (2)0.31416 (16)0.29278 (13)0.0166 (4)
H220.19170.28810.30710.020*
C230.0235 (3)0.22607 (18)0.33142 (17)0.0263 (5)
H23A0.01300.21220.39200.032*
H23B0.08590.16380.31580.032*
H23C0.07080.24610.31120.032*
C240.0913 (3)0.34627 (19)0.19791 (15)0.0253 (5)
H24A0.13660.28520.17700.030*
H24B0.14550.39570.17390.030*
H24C0.00730.37850.18220.030*
C250.6629 (2)0.22830 (17)0.43496 (13)0.0186 (4)
H250.65220.29980.42220.022*
C260.7173 (2)0.16373 (18)0.51001 (14)0.0216 (5)
H260.74420.19090.54670.026*
C270.7313 (2)0.06089 (17)0.52975 (14)0.0215 (5)
H270.76840.01610.58040.026*
C280.6906 (2)0.02125 (17)0.47499 (13)0.0171 (4)
C290.6957 (2)0.08323 (17)0.49272 (13)0.0191 (4)
H290.73130.13140.54270.023*
C300.6491 (2)0.11425 (17)0.43781 (13)0.0193 (4)
H300.65180.18430.45040.023*
C310.5969 (2)0.04461 (16)0.36235 (13)0.0166 (4)
H310.56540.06860.32520.020*
C320.5912 (2)0.05744 (16)0.34227 (12)0.0140 (4)
C330.6380 (2)0.09153 (16)0.39991 (13)0.0146 (4)
C340.5785 (2)0.01577 (15)0.16292 (12)0.0129 (4)
C350.5211 (2)0.05584 (15)0.14998 (12)0.0136 (4)
C360.6165 (2)0.13954 (16)0.12380 (12)0.0156 (4)
H360.57970.18850.11570.019*
C370.7635 (2)0.15483 (15)0.10886 (12)0.0143 (4)
C380.8147 (2)0.08130 (16)0.11888 (12)0.0140 (4)
H380.91460.09010.10830.017*
C390.7254 (2)0.00507 (15)0.14388 (12)0.0133 (4)
C400.3620 (2)0.04631 (16)0.15953 (13)0.0158 (4)
H400.30650.02740.15650.019*
C410.3204 (2)0.11248 (18)0.24469 (15)0.0237 (5)
H41A0.35030.09490.28840.028*
H41B0.36810.18570.24790.028*
H41C0.21630.09900.25200.028*
C420.3195 (2)0.07414 (19)0.08969 (15)0.0243 (5)
H42A0.35190.03430.03590.029*
H42B0.21500.05790.09390.029*
H42C0.36440.14810.09470.029*
C430.8632 (2)0.24362 (16)0.07528 (13)0.0154 (4)
H430.96310.24070.07100.018*
C440.8289 (2)0.23106 (18)0.01217 (14)0.0228 (5)
H44A0.83890.16540.04890.027*
H44B0.73040.23170.01020.027*
H44C0.89540.28810.03330.027*
C450.8600 (3)0.34972 (17)0.13163 (15)0.0235 (5)
H45A0.93250.40370.10950.028*
H45B0.76500.35680.13390.028*
H45C0.88050.35660.18760.028*
C460.7953 (2)0.08566 (16)0.14290 (12)0.0145 (4)
H460.71790.14720.15490.017*
C470.8695 (2)0.12029 (17)0.05629 (13)0.0202 (5)
H47A0.89850.18040.05280.024*
H47B0.80290.13880.01430.024*
H47C0.95440.06380.04650.024*
C480.9024 (2)0.04560 (17)0.20819 (14)0.0201 (5)
H48A0.85390.02460.26330.024*
H48B0.94170.10030.20640.024*
H48C0.98050.01390.19680.024*
N10.60891 (19)0.37241 (13)0.17420 (11)0.0157 (4)
N20.35830 (18)0.39848 (13)0.26796 (10)0.0139 (3)
N30.62582 (18)0.19443 (13)0.38100 (11)0.0152 (4)
N40.54914 (18)0.13417 (13)0.26880 (10)0.0144 (3)
O10.31724 (15)0.48397 (11)0.38247 (9)0.0181 (3)
O20.29048 (15)0.31305 (11)0.40928 (9)0.0173 (3)
O30.33632 (16)0.09569 (12)0.24549 (10)0.0206 (3)
O40.44548 (16)0.21497 (11)0.13703 (9)0.0179 (3)
Zn10.52693 (2)0.274527 (17)0.273923 (14)0.01426 (8)
S20.46392 (5)0.12125 (4)0.20390 (3)0.01376 (12)
S10.27072 (5)0.41610 (4)0.35470 (3)0.01296 (11)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
C10.0155 (10)0.0189 (11)0.0248 (11)0.0058 (9)0.0001 (8)0.0077 (9)
C20.0182 (11)0.0267 (12)0.0237 (12)0.0094 (9)0.0049 (9)0.0096 (10)
C30.0238 (12)0.0241 (11)0.0168 (11)0.0141 (9)0.0021 (9)0.0037 (9)
C40.0219 (11)0.0185 (10)0.0132 (10)0.0097 (9)0.0024 (8)0.0038 (8)
C50.0255 (12)0.0175 (11)0.0137 (10)0.0086 (9)0.0012 (8)0.0022 (8)
C60.0225 (11)0.0155 (10)0.0181 (11)0.0028 (9)0.0066 (9)0.0037 (8)
C70.0156 (10)0.0190 (11)0.0153 (10)0.0038 (8)0.0000 (8)0.0023 (8)
C80.0161 (10)0.0135 (10)0.0122 (9)0.0054 (8)0.0034 (8)0.0009 (8)
C90.0168 (10)0.0157 (10)0.0137 (10)0.0057 (8)0.0022 (8)0.0049 (8)
C100.0095 (9)0.0149 (10)0.0120 (9)0.0026 (8)0.0016 (7)0.0005 (8)
C110.0152 (10)0.0150 (10)0.0105 (9)0.0042 (8)0.0021 (7)0.0001 (8)
C120.0167 (10)0.0135 (10)0.0142 (10)0.0011 (8)0.0007 (8)0.0023 (8)
C130.0153 (10)0.0174 (10)0.0119 (10)0.0033 (8)0.0027 (8)0.0010 (8)
C140.0170 (10)0.0180 (10)0.0144 (10)0.0059 (8)0.0026 (8)0.0020 (8)
C150.0151 (10)0.0128 (10)0.0112 (9)0.0037 (8)0.0016 (7)0.0004 (8)
C160.0177 (10)0.0132 (10)0.0182 (11)0.0049 (8)0.0018 (8)0.0007 (8)
C170.0309 (13)0.0259 (12)0.0223 (12)0.0139 (10)0.0022 (9)0.0072 (10)
C180.0242 (12)0.0156 (11)0.0256 (12)0.0061 (9)0.0032 (9)0.0003 (9)
C190.0130 (10)0.0174 (10)0.0202 (11)0.0054 (8)0.0011 (8)0.0016 (8)
C200.0154 (11)0.0423 (15)0.0293 (13)0.0036 (10)0.0020 (9)0.0155 (11)
C210.0156 (11)0.0359 (13)0.0220 (12)0.0075 (10)0.0038 (9)0.0066 (10)
C220.0144 (10)0.0172 (10)0.0189 (11)0.0040 (8)0.0010 (8)0.0070 (8)
C230.0203 (11)0.0171 (11)0.0410 (14)0.0054 (9)0.0026 (10)0.0104 (10)
C240.0233 (12)0.0270 (12)0.0235 (12)0.0007 (10)0.0059 (9)0.0112 (10)
C250.0172 (10)0.0176 (10)0.0208 (11)0.0058 (8)0.0001 (8)0.0056 (9)
C260.0241 (12)0.0260 (12)0.0178 (11)0.0086 (9)0.0031 (9)0.0084 (9)
C270.0208 (11)0.0229 (11)0.0167 (11)0.0044 (9)0.0047 (8)0.0005 (9)
C280.0139 (10)0.0187 (10)0.0151 (10)0.0031 (8)0.0006 (8)0.0021 (8)
C290.0208 (11)0.0163 (10)0.0151 (10)0.0037 (9)0.0023 (8)0.0010 (8)
C300.0205 (11)0.0137 (10)0.0190 (11)0.0043 (8)0.0011 (8)0.0006 (8)
C310.0182 (10)0.0156 (10)0.0141 (10)0.0045 (8)0.0003 (8)0.0032 (8)
C320.0105 (9)0.0145 (10)0.0121 (9)0.0020 (8)0.0025 (7)0.0008 (8)
C330.0110 (9)0.0150 (10)0.0153 (10)0.0034 (8)0.0038 (7)0.0038 (8)
C340.0146 (10)0.0112 (9)0.0092 (9)0.0019 (8)0.0020 (7)0.0004 (7)
C350.0129 (10)0.0150 (10)0.0100 (9)0.0043 (8)0.0023 (7)0.0012 (8)
C360.0193 (10)0.0153 (10)0.0129 (10)0.0063 (8)0.0034 (8)0.0023 (8)
C370.0167 (10)0.0130 (10)0.0086 (9)0.0014 (8)0.0020 (7)0.0001 (7)
C380.0123 (9)0.0172 (10)0.0107 (9)0.0042 (8)0.0020 (7)0.0014 (8)
C390.0125 (9)0.0141 (10)0.0096 (9)0.0037 (8)0.0030 (7)0.0024 (7)
C400.0138 (10)0.0139 (10)0.0181 (10)0.0024 (8)0.0041 (8)0.0027 (8)
C410.0134 (10)0.0250 (12)0.0274 (12)0.0066 (9)0.0010 (9)0.0007 (10)
C420.0155 (11)0.0282 (12)0.0331 (13)0.0049 (9)0.0081 (9)0.0123 (10)
C430.0140 (10)0.0164 (10)0.0142 (10)0.0024 (8)0.0009 (8)0.0047 (8)
C440.0204 (11)0.0256 (12)0.0187 (11)0.0007 (9)0.0031 (9)0.0088 (9)
C450.0259 (12)0.0154 (11)0.0238 (12)0.0033 (9)0.0020 (9)0.0036 (9)
C460.0129 (10)0.0158 (10)0.0144 (10)0.0047 (8)0.0006 (8)0.0036 (8)
C470.0236 (11)0.0194 (11)0.0177 (11)0.0112 (9)0.0015 (9)0.0016 (9)
C480.0204 (11)0.0238 (11)0.0181 (11)0.0097 (9)0.0034 (8)0.0044 (9)
N10.0165 (9)0.0136 (8)0.0170 (9)0.0046 (7)0.0020 (7)0.0039 (7)
N20.0131 (8)0.0117 (8)0.0124 (8)0.0014 (7)0.0007 (6)0.0002 (7)
N30.0131 (8)0.0144 (8)0.0158 (9)0.0034 (7)0.0004 (7)0.0022 (7)
N40.0179 (9)0.0115 (8)0.0121 (8)0.0034 (7)0.0011 (7)0.0024 (7)
O10.0158 (7)0.0199 (8)0.0184 (8)0.0050 (6)0.0048 (6)0.0033 (6)
O20.0161 (7)0.0151 (7)0.0147 (7)0.0039 (6)0.0032 (6)0.0044 (6)
O30.0138 (7)0.0234 (8)0.0266 (8)0.0053 (6)0.0032 (6)0.0125 (7)
O40.0198 (8)0.0133 (7)0.0168 (7)0.0003 (6)0.0073 (6)0.0008 (6)
Zn10.01452 (13)0.01073 (13)0.01461 (13)0.00254 (9)0.00126 (9)0.00094 (9)
S20.0115 (2)0.0129 (2)0.0148 (2)0.00144 (19)0.00159 (18)0.00310 (19)
S10.0113 (2)0.0129 (2)0.0116 (2)0.00289 (18)0.00190 (17)0.00059 (18)
Geometric parameters (Å, º) top
C1—N11.319 (3)C27—C281.411 (3)
C1—C21.411 (3)C27—H270.9500
C1—H10.9500C28—C331.416 (3)
C2—C31.365 (3)C28—C291.416 (3)
C2—H20.9500C29—C301.361 (3)
C3—C41.414 (3)C29—H290.9500
C3—H30.9500C30—C311.417 (3)
C4—C51.417 (3)C30—H300.9500
C4—C91.420 (3)C31—C321.377 (3)
C5—C61.369 (3)C31—H310.9500
C5—H50.9500C32—N41.403 (3)
C6—C71.402 (3)C32—C331.431 (3)
C6—H60.9500C33—N31.373 (3)
C7—C81.380 (3)C34—C391.405 (3)
C7—H70.9500C34—C351.422 (3)
C8—N21.403 (3)C34—S21.804 (2)
C8—C91.433 (3)C35—C361.391 (3)
C9—N11.375 (3)C35—C401.526 (3)
C10—C111.415 (3)C36—C371.392 (3)
C10—C151.416 (3)C36—H360.9500
C10—S11.800 (2)C37—C381.383 (3)
C11—C121.399 (3)C37—C431.520 (3)
C11—C161.533 (3)C38—C391.392 (3)
C12—C131.383 (3)C38—H380.9500
C12—H120.9500C39—C461.536 (3)
C13—C141.389 (3)C40—C421.536 (3)
C13—C191.525 (3)C40—C411.537 (3)
C14—C151.385 (3)C40—H401.0000
C14—H140.9500C41—H41A0.9800
C15—C221.526 (3)C41—H41B0.9800
C16—C171.531 (3)C41—H41C0.9800
C16—C181.534 (3)C42—H42A0.9800
C16—H161.0000C42—H42B0.9800
C17—H17A0.9800C42—H42C0.9800
C17—H17B0.9800C43—C451.530 (3)
C17—H17C0.9800C43—C441.533 (3)
C18—H18A0.9800C43—H431.0000
C18—H18B0.9800C44—H44A0.9800
C18—H18C0.9800C44—H44B0.9800
C19—C201.520 (3)C44—H44C0.9800
C19—C211.529 (3)C45—H45A0.9800
C19—H191.0000C45—H45B0.9800
C20—H20A0.9800C45—H45C0.9800
C20—H20B0.9800C46—C481.526 (3)
C20—H20C0.9800C46—C471.536 (3)
C21—H21A0.9800C46—H461.0000
C21—H21B0.9800C47—H47A0.9800
C21—H21C0.9800C47—H47B0.9800
C22—C241.535 (3)C47—H47C0.9800
C22—C231.536 (3)C48—H48A0.9800
C22—H221.0000C48—H48B0.9800
C23—H23A0.9800C48—H48C0.9800
C23—H23B0.9800N1—Zn12.0738 (18)
C23—H23C0.9800N2—S11.6168 (17)
C24—H24A0.9800N2—Zn11.9718 (17)
C24—H24B0.9800N3—Zn12.0487 (18)
C24—H24C0.9800N4—S21.6020 (18)
C25—N31.322 (3)N4—Zn11.9742 (17)
C25—C261.399 (3)O1—S11.4373 (16)
C25—H250.9500O2—S11.4460 (14)
C26—C271.367 (3)O3—S21.4417 (15)
C26—H260.9500O4—S21.4435 (15)
N1—C1—C2122.9 (2)C29—C30—C31121.6 (2)
N1—C1—H1118.5C29—C30—H30119.2
C2—C1—H1118.5C31—C30—H30119.2
C3—C2—C1119.2 (2)C32—C31—C30120.7 (2)
C3—C2—H2120.4C32—C31—H31119.6
C1—C2—H2120.4C30—C31—H31119.6
C2—C3—C4119.7 (2)C31—C32—N4127.5 (2)
C2—C3—H3120.1C31—C32—C33118.32 (18)
C4—C3—H3120.1N4—C32—C33114.16 (18)
C3—C4—C5123.0 (2)N3—C33—C28121.61 (19)
C3—C4—C9117.8 (2)N3—C33—C32117.84 (18)
C5—C4—C9119.23 (19)C28—C33—C32120.52 (19)
C6—C5—C4118.67 (19)C39—C34—C35120.29 (18)
C6—C5—H5120.7C39—C34—S2119.25 (15)
C4—C5—H5120.7C35—C34—S2120.46 (15)
C5—C6—C7122.4 (2)C36—C35—C34117.65 (18)
C5—C6—H6118.8C36—C35—C40117.10 (18)
C7—C6—H6118.8C34—C35—C40125.22 (18)
C8—C7—C6121.2 (2)C35—C36—C37123.02 (19)
C8—C7—H7119.4C35—C36—H36118.5
C6—C7—H7119.4C37—C36—H36118.5
C7—C8—N2126.82 (19)C38—C37—C36117.63 (19)
C7—C8—C9117.51 (19)C38—C37—C43120.71 (18)
N2—C8—C9115.66 (17)C36—C37—C43121.44 (19)
N1—C9—C4121.31 (19)C37—C38—C39122.56 (19)
N1—C9—C8117.69 (18)C37—C38—H38118.7
C4—C9—C8120.97 (19)C39—C38—H38118.7
C11—C10—C15120.67 (18)C38—C39—C34118.66 (18)
C11—C10—S1121.57 (15)C38—C39—C46116.39 (17)
C15—C10—S1117.33 (15)C34—C39—C46124.83 (18)
C12—C11—C10117.41 (19)C35—C40—C42112.32 (17)
C12—C11—C16116.13 (18)C35—C40—C41110.87 (17)
C10—C11—C16126.42 (18)C42—C40—C41110.54 (18)
C13—C12—C11122.97 (19)C35—C40—H40107.6
C13—C12—H12118.5C42—C40—H40107.6
C11—C12—H12118.5C41—C40—H40107.6
C12—C13—C14117.45 (19)C40—C41—H41A109.5
C12—C13—C19123.31 (19)C40—C41—H41B109.5
C14—C13—C19119.16 (19)H41A—C41—H41B109.5
C15—C14—C13123.1 (2)C40—C41—H41C109.5
C15—C14—H14118.5H41A—C41—H41C109.5
C13—C14—H14118.5H41B—C41—H41C109.5
C14—C15—C10117.81 (19)C40—C42—H42A109.5
C14—C15—C22117.43 (18)C40—C42—H42B109.5
C10—C15—C22124.61 (18)H42A—C42—H42B109.5
C17—C16—C11110.99 (17)C40—C42—H42C109.5
C17—C16—C18111.18 (19)H42A—C42—H42C109.5
C11—C16—C18111.06 (17)H42B—C42—H42C109.5
C17—C16—H16107.8C37—C43—C45113.23 (17)
C11—C16—H16107.8C37—C43—C44110.56 (17)
C18—C16—H16107.8C45—C43—C44110.05 (18)
C16—C17—H17A109.5C37—C43—H43107.6
C16—C17—H17B109.5C45—C43—H43107.6
H17A—C17—H17B109.5C44—C43—H43107.6
C16—C17—H17C109.5C43—C44—H44A109.5
H17A—C17—H17C109.5C43—C44—H44B109.5
H17B—C17—H17C109.5H44A—C44—H44B109.5
C16—C18—H18A109.5C43—C44—H44C109.5
C16—C18—H18B109.5H44A—C44—H44C109.5
H18A—C18—H18B109.5H44B—C44—H44C109.5
C16—C18—H18C109.5C43—C45—H45A109.5
H18A—C18—H18C109.5C43—C45—H45B109.5
H18B—C18—H18C109.5H45A—C45—H45B109.5
C20—C19—C13114.59 (18)C43—C45—H45C109.5
C20—C19—C21110.20 (19)H45A—C45—H45C109.5
C13—C19—C21109.42 (17)H45B—C45—H45C109.5
C20—C19—H19107.4C48—C46—C39112.52 (17)
C13—C19—H19107.4C48—C46—C47110.03 (17)
C21—C19—H19107.4C39—C46—C47109.71 (17)
C19—C20—H20A109.5C48—C46—H46108.2
C19—C20—H20B109.5C39—C46—H46108.2
H20A—C20—H20B109.5C47—C46—H46108.2
C19—C20—H20C109.5C46—C47—H47A109.5
H20A—C20—H20C109.5C46—C47—H47B109.5
H20B—C20—H20C109.5H47A—C47—H47B109.5
C19—C21—H21A109.5C46—C47—H47C109.5
C19—C21—H21B109.5H47A—C47—H47C109.5
H21A—C21—H21B109.5H47B—C47—H47C109.5
C19—C21—H21C109.5C46—C48—H48A109.5
H21A—C21—H21C109.5C46—C48—H48B109.5
H21B—C21—H21C109.5H48A—C48—H48B109.5
C15—C22—C24108.91 (17)C46—C48—H48C109.5
C15—C22—C23113.08 (17)H48A—C48—H48C109.5
C24—C22—C23110.56 (19)H48B—C48—H48C109.5
C15—C22—H22108.0C1—N1—C9119.06 (18)
C24—C22—H22108.0C1—N1—Zn1130.77 (15)
C23—C22—H22108.0C9—N1—Zn1110.01 (13)
C22—C23—H23A109.5C8—N2—S1120.66 (14)
C22—C23—H23B109.5C8—N2—Zn1113.36 (13)
H23A—C23—H23B109.5S1—N2—Zn1117.19 (9)
C22—C23—H23C109.5C25—N3—C33118.81 (18)
H23A—C23—H23C109.5C25—N3—Zn1130.13 (15)
H23B—C23—H23C109.5C33—N3—Zn1110.64 (14)
C22—C24—H24A109.5C32—N4—S2122.86 (14)
C22—C24—H24B109.5C32—N4—Zn1113.53 (13)
H24A—C24—H24B109.5S2—N4—Zn1118.84 (10)
C22—C24—H24C109.5N2—Zn1—N4131.86 (7)
H24A—C24—H24C109.5N2—Zn1—N3122.20 (7)
H24B—C24—H24C109.5N4—Zn1—N382.37 (7)
N3—C25—C26123.1 (2)N2—Zn1—N182.95 (7)
N3—C25—H25118.5N4—Zn1—N1119.23 (7)
C26—C25—H25118.5N3—Zn1—N1123.93 (7)
C27—C26—C25119.0 (2)O3—S2—O4117.33 (9)
C27—C26—H26120.5O3—S2—N4109.98 (9)
C25—C26—H26120.5O4—S2—N4105.19 (9)
C26—C27—C28120.1 (2)O3—S2—C34108.33 (9)
C26—C27—H27120.0O4—S2—C34107.71 (9)
C28—C27—H27120.0N4—S2—C34107.94 (9)
C27—C28—C33117.4 (2)O1—S1—O2116.03 (9)
C27—C28—C29123.4 (2)O1—S1—N2110.85 (9)
C33—C28—C29119.2 (2)O2—S1—N2104.44 (9)
C30—C29—C28119.6 (2)O1—S1—C10109.21 (9)
C30—C29—H29120.2O2—S1—C10106.29 (9)
C28—C29—H29120.2N2—S1—C10109.79 (9)
N1—C1—C2—C31.0 (3)C36—C35—C40—C4240.0 (3)
C1—C2—C3—C40.5 (3)C34—C35—C40—C42137.6 (2)
C2—C3—C4—C5177.6 (2)C36—C35—C40—C4184.2 (2)
C2—C3—C4—C91.6 (3)C34—C35—C40—C4198.1 (2)
C3—C4—C5—C6179.4 (2)C38—C37—C43—C45125.9 (2)
C9—C4—C5—C60.2 (3)C36—C37—C43—C4559.7 (3)
C4—C5—C6—C70.9 (3)C38—C37—C43—C44110.1 (2)
C5—C6—C7—C81.8 (3)C36—C37—C43—C4464.3 (2)
C6—C7—C8—N2179.8 (2)C38—C39—C46—C4867.9 (2)
C6—C7—C8—C91.3 (3)C34—C39—C46—C48116.3 (2)
C3—C4—C9—N11.5 (3)C38—C39—C46—C4755.0 (2)
C5—C4—C9—N1177.76 (19)C34—C39—C46—C47120.8 (2)
C3—C4—C9—C8179.82 (19)C2—C1—N1—C91.2 (3)
C5—C4—C9—C80.6 (3)C2—C1—N1—Zn1173.71 (16)
C7—C8—C9—N1178.60 (19)C4—C9—N1—C10.1 (3)
N2—C8—C9—N12.7 (3)C8—C9—N1—C1178.46 (19)
C7—C8—C9—C40.2 (3)C4—C9—N1—Zn1175.98 (15)
N2—C8—C9—C4178.86 (18)C8—C9—N1—Zn15.6 (2)
C15—C10—C11—C128.3 (3)C7—C8—N2—S136.8 (3)
S1—C10—C11—C12163.93 (15)C9—C8—N2—S1144.67 (16)
C15—C10—C11—C16169.32 (19)C7—C8—N2—Zn1176.63 (18)
S1—C10—C11—C1618.5 (3)C9—C8—N2—Zn11.9 (2)
C10—C11—C12—C133.8 (3)C26—C25—N3—C331.5 (3)
C16—C11—C12—C13174.05 (18)C26—C25—N3—Zn1173.34 (16)
C11—C12—C13—C143.0 (3)C28—C33—N3—C250.7 (3)
C11—C12—C13—C19179.82 (19)C32—C33—N3—C25177.30 (18)
C12—C13—C14—C155.7 (3)C28—C33—N3—Zn1174.11 (15)
C19—C13—C14—C15177.34 (19)C32—C33—N3—Zn13.9 (2)
C13—C14—C15—C101.3 (3)C31—C32—N4—S215.3 (3)
C13—C14—C15—C22176.95 (19)C33—C32—N4—S2167.25 (14)
C11—C10—C15—C145.9 (3)C31—C32—N4—Zn1170.44 (17)
S1—C10—C15—C14166.68 (15)C33—C32—N4—Zn112.1 (2)
C11—C10—C15—C22169.40 (18)C8—N2—Zn1—N4119.55 (14)
S1—C10—C15—C2218.1 (3)S1—N2—Zn1—N492.65 (12)
C12—C11—C16—C1773.6 (2)C8—N2—Zn1—N3129.75 (13)
C10—C11—C16—C17108.7 (2)S1—N2—Zn1—N318.05 (14)
C12—C11—C16—C1850.6 (2)C8—N2—Zn1—N13.82 (14)
C10—C11—C16—C18127.1 (2)S1—N2—Zn1—N1143.98 (11)
C12—C13—C19—C2024.7 (3)C32—N4—Zn1—N2115.86 (14)
C14—C13—C19—C20158.5 (2)S2—N4—Zn1—N240.39 (15)
C12—C13—C19—C2199.6 (2)C32—N4—Zn1—N311.14 (13)
C14—C13—C19—C2177.1 (2)S2—N4—Zn1—N3167.39 (11)
C14—C15—C22—C2480.0 (2)C32—N4—Zn1—N1135.92 (13)
C10—C15—C22—C2495.3 (2)S2—N4—Zn1—N167.83 (13)
C14—C15—C22—C2343.3 (3)C25—N3—Zn1—N245.2 (2)
C10—C15—C22—C23141.4 (2)C33—N3—Zn1—N2127.17 (13)
N3—C25—C26—C271.0 (3)C25—N3—Zn1—N4179.45 (19)
C25—C26—C27—C280.3 (3)C33—N3—Zn1—N48.16 (13)
C26—C27—C28—C330.9 (3)C25—N3—Zn1—N159.2 (2)
C26—C27—C28—C29177.0 (2)C33—N3—Zn1—N1128.41 (13)
C27—C28—C29—C30177.5 (2)C1—N1—Zn1—N2179.6 (2)
C33—C28—C29—C300.4 (3)C9—N1—Zn1—N25.12 (14)
C28—C29—C30—C310.7 (3)C1—N1—Zn1—N445.9 (2)
C29—C30—C31—C320.1 (3)C9—N1—Zn1—N4129.42 (13)
C30—C31—C32—N4176.69 (19)C1—N1—Zn1—N355.3 (2)
C30—C31—C32—C330.7 (3)C9—N1—Zn1—N3129.44 (13)
C27—C28—C33—N30.4 (3)C32—N4—S2—O354.37 (18)
C29—C28—C33—N3177.59 (18)Zn1—N4—S2—O399.56 (11)
C27—C28—C33—C32178.42 (19)C32—N4—S2—O4178.41 (15)
C29—C28—C33—C320.4 (3)Zn1—N4—S2—O427.66 (13)
C31—C32—C33—N3177.10 (18)C32—N4—S2—C3463.63 (18)
N4—C32—C33—N35.2 (3)Zn1—N4—S2—C34142.44 (10)
C31—C32—C33—C281.0 (3)C39—C34—S2—O3159.45 (15)
N4—C32—C33—C28176.76 (17)C35—C34—S2—O320.55 (18)
C39—C34—C35—C364.4 (3)C39—C34—S2—O472.71 (17)
S2—C34—C35—C36175.56 (14)C35—C34—S2—O4107.29 (16)
C39—C34—C35—C40173.24 (18)C39—C34—S2—N440.40 (18)
S2—C34—C35—C406.8 (3)C35—C34—S2—N4139.60 (16)
C34—C35—C36—C370.9 (3)C8—N2—S1—O149.64 (18)
C40—C35—C36—C37176.92 (18)Zn1—N2—S1—O195.71 (11)
C35—C36—C37—C381.6 (3)C8—N2—S1—O2175.29 (15)
C35—C36—C37—C43176.21 (18)Zn1—N2—S1—O229.95 (12)
C36—C37—C38—C390.8 (3)C8—N2—S1—C1071.10 (17)
C43—C37—C38—C39175.39 (18)Zn1—N2—S1—C10143.55 (10)
C37—C38—C39—C342.7 (3)C11—C10—S1—O10.19 (19)
C37—C38—C39—C46173.44 (18)C15—C10—S1—O1172.29 (15)
C35—C34—C39—C385.3 (3)C11—C10—S1—O2126.05 (16)
S2—C34—C39—C38174.72 (14)C15—C10—S1—O246.42 (18)
C35—C34—C39—C46170.47 (18)C11—C10—S1—N2121.54 (16)
S2—C34—C39—C469.5 (3)C15—C10—S1—N265.98 (17)
Hydrogen-bond geometry (Å, º) top
D—H···AD—HH···AD···AD—H···A
C20—H20B···O1i0.982.553.533 (3)179
C29—H29···O2ii0.952.553.158 (3)123
C30—H30···O2ii0.952.543.165 (3)123
Symmetry codes: (i) x, y+1, z+1; (ii) x+1, y, z+1.
 

Follow Acta Cryst. E
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds