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Information card for entry 8104985
Preview
| Coordinates | 8104985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H11 Cl N2 O3 S |
|---|---|
| Calculated formula | C12 H11 Cl N2 O3 S |
| Title of publication | The crystal structure of N′-(2-chloro-6-hydroxybenzylidene)thiophene-2-carbohydrazide monohydrate, C12H11ClN2O3S |
| Authors of publication | Yu, Haiyan; Wang, Meng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 147 - 148 |
| a | 4.7305 ± 0.0008 Å |
| b | 21.252 ± 0.004 Å |
| c | 13.134 ± 0.002 Å |
| α | 90° |
| β | 96.286 ± 0.002° |
| γ | 90° |
| Cell volume | 1312.5 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0922 |
| Residual factor for significantly intense reflections | 0.0519 |
| Weighted residual factors for significantly intense reflections | 0.1002 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274198 (current) | 2022-04-01 | cif/ Adding structures of 8104985 via cif-deposit CGI script. |
8104985.cif |
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Users of the data should acknowledge the original authors of the
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