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Information card for entry 8104997
Preview
| Coordinates | 8104997.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H8 Cl N3 O S |
|---|---|
| Calculated formula | C8 H8 Cl N3 O S |
| Title of publication | Crystal structure of (E)-2-(2-chloro-6-hydroxybenzylidene)hydrazine-1-carbothioamide, C8H8ClN3O4S |
| Authors of publication | Li, Xia; Liu, Shangjun; Yan, Weihong; Shen, Mingle; Xue, Chaohui |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 5 - 6 |
| a | 12.662 ± 0.002 Å |
| b | 5.2782 ± 0.0008 Å |
| c | 14.841 ± 0.002 Å |
| α | 90° |
| β | 94.103 ± 0.003° |
| γ | 90° |
| Cell volume | 989.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0402 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.1068 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274297 (current) | 2022-04-04 | cif/ Adding structures of 8104997 via cif-deposit CGI script. |
8104997.cif |
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Users of the data should acknowledge the original authors of the
structural data.