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Information card for entry 8106435
Preview
| Coordinates | 8106435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H14 N2 O3 S |
|---|---|
| Calculated formula | C13 H14 N2 O3 S |
| SMILES | s1cccc1C(=O)NNC(=O)Cc1ccccc1.O |
| Title of publication | Crystal structure of N′-(2-phenylacetyl)thiophene-2-carbohydrazide monohydrate, C13H14N2O3S |
| Authors of publication | El-Faham, Ayman; El-Merghany, Adel; Ghabbour, Hazem A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 69 - 71 |
| a | 27.991 ± 0.0012 Å |
| b | 6.5721 ± 0.0003 Å |
| c | 14.2821 ± 0.0007 Å |
| α | 90° |
| β | 92.6 ± 0.003° |
| γ | 90° |
| Cell volume | 2624.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0636 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280232 (current) | 2023-01-06 | cif/ Adding structures of 8106435 via cif-deposit CGI script. |
8106435.cif |
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Users of the data should acknowledge the original authors of the
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