Information card for entry 1545040
Chemical name |
(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione |
Formula |
C17 H12 Cl2 O2 S |
Calculated formula |
C17 H12 Cl2 O2 S |
SMILES |
Clc1c(C(=O)/C=C(\SC)C(=O)c2ccccc2Cl)cccc1 |
Title of publication |
(<i>Z</i>)-1,4-Bis(2-chlorophenyl)-2-(methylsulfanyl)but-2-ene-1,4-dione |
Authors of publication |
Ravi, A. J.; Vinayaka, A. C.; Roopashree, K. R.; Sadashiva, M. P.; Devarajegowda., H. C. |
Journal of publication |
IUCrData |
Year of publication |
2017 |
Journal volume |
2 |
Journal issue |
1 |
Pages of publication |
x162047 |
a |
19.3473 ± 0.0008 Å |
b |
9.9623 ± 0.0004 Å |
c |
18.5845 ± 0.0007 Å |
α |
90° |
β |
116.194 ± 0.002° |
γ |
90° |
Cell volume |
3214.2 ± 0.2 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.0536 |
Residual factor for significantly intense reflections |
0.0518 |
Weighted residual factors for significantly intense reflections |
0.1392 |
Weighted residual factors for all reflections included in the refinement |
0.1411 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/1545040.html