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Information card for entry 8107481
Preview
| Coordinates | 8107481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2-bromo-1,3-phenylene bis(4-methylbenzenesulfonate) |
|---|---|
| Formula | C22 H22 N4 O4 |
| Calculated formula | C22 H22 N4 O4 |
| Title of publication | The crystal structure of N′1,N′3-di((E)-benzylidene) isophthalohydrazide dihydrate, C 22 H 22 N 4 O 4 |
| Authors of publication | Lai, Ni; Zhang, Sheng-Ting; Zou, Fei; Yuan, Lin; Li, Zhong-Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 3 |
| Pages of publication | 511 - 512 |
| a | 34.315 ± 0.013 Å |
| b | 6.701 ± 0.003 Å |
| c | 9.105 ± 0.003 Å |
| α | 90° |
| β | 98.51 ± 0.004° |
| γ | 90° |
| Cell volume | 2070.6 ± 1.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| 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 |
|---|---|---|---|
| 285240 (current) | 2023-07-17 | cif/ Adding structures of 8107481 via cif-deposit CGI script. |
8107481.cif |
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