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Information card for entry 8106770
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| Coordinates | 8106770.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | ethyl 2-(2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazol-4-yl)acetate |
|---|---|
| Formula | C18 H21 Cl N2 O3 S |
| Calculated formula | C18 H21 Cl N2 O3 S |
| SMILES | Clc1ccc(C(C(=O)Nc2scc(n2)CC(=O)OCC)C(C)C)cc1 |
| Title of publication | Crystal structure of ethyl 2-(2-(2-(4-chlorophenyl)-3-methylbutanamido)thiazol-4-yl)acetate, C18H21ClN2O3S |
| Authors of publication | Wang, Zong-Cheng; Zhao, Jin-Hao; Cheng, Jing-Li; Jiang, Hong-Yu; Liu, Xiao-Wen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 9 - 11 |
| a | 12.582 ± 0.004 Å |
| b | 14.79 ± 0.005 Å |
| c | 21.406 ± 0.008 Å |
| α | 90° |
| β | 92.572 ± 0.013° |
| γ | 90° |
| Cell volume | 3979 ± 2 Å3 |
| Cell temperature | 298 ± 1 K |
| Ambient diffraction temperature | 298 ± 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 significantly intense reflections | 0.0464 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280874 (current) | 2023-02-13 | cif/ Adding structures of 8106770 via cif-deposit CGI script. |
8106770.cif |
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