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Information card for entry 8106759
Preview
| Coordinates | 8106759.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 N3 O4 S |
|---|---|
| Calculated formula | C14 H13 N3 O4 S |
| SMILES | S(=O)(=O)(N/N=C/c1c(N(=O)=O)cccc1)c1ccc(cc1)C |
| Title of publication | The crystal structure (E)-4-methyl-N′-(2-nitrobenzylidene)benzenesulfonohydrazide, C14H13N3O4S |
| Authors of publication | Xi-Shi, Tai; Peng-Fei, Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 6 |
| Pages of publication | 1031 - 1032 |
| a | 5.6735 ± 0.0011 Å |
| b | 10.509 ± 0.002 Å |
| c | 12.18 ± 0.002 Å |
| α | 93.76 ± 0.03° |
| β | 95.11 ± 0.03° |
| γ | 98.13 ± 0.03° |
| Cell volume | 713.8 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0473 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.1179 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280863 (current) | 2023-02-13 | cif/ Adding structures of 8106759 via cif-deposit CGI script. |
8106759.cif |
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Users of the data should acknowledge the original authors of the
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