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Information card for entry 1543480
Preview
Coordinates | 1543480.cif |
---|---|
Structure factors | 1543480.hkl |
Original IUCr paper | HTML |
Chemical name | 2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide |
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Formula | C11 H8 Cl2 N2 O S |
Calculated formula | C11 H8 Cl2 N2 O S |
SMILES | s1cc(nc1NC(=O)CCl)c1ccc(Cl)cc1 |
Title of publication | 2-Chloro-<i>N</i>-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide |
Authors of publication | Saravanan, K.; Priya, K.; Anand, S. Athavan Alias; Kabilan, S.; Selvanayagam, S. |
Journal of publication | IUCrData |
Year of publication | 2016 |
Journal volume | 1 |
Journal issue | 6 |
Pages of publication | x160903 |
a | 5.094 ± 0.0012 Å |
b | 14.738 ± 0.003 Å |
c | 15.703 ± 0.003 Å |
α | 90° |
β | 96.932 ± 0.009° |
γ | 90° |
Cell volume | 1170.3 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0818 |
Residual factor for significantly intense reflections | 0.0627 |
Weighted residual factors for significantly intense reflections | 0.1684 |
Weighted residual factors for all reflections included in the refinement | 0.1776 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
183692 (current) | 2016-06-18 | cif/ hkl/ Adding structures of 1543480 via cif-deposit CGI script. |
1543480.cif 1543480.hkl |
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Users of the data should acknowledge the original authors of the
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