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Information card for entry 1551800
Preview
| Coordinates | 1551800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 Br N2 O3 S |
|---|---|
| Calculated formula | C14 H13 Br N2 O3 S |
| SMILES | Brc1ccc(O)c(/C=N/NS(=O)(=O)c2ccc(cc2)C)c1 |
| Title of publication | Crystal Structure of N′-(5-Bromosalicylaldehyde)-4-toluene-sulfonylhydrazide |
| Authors of publication | TAI, Xishi; FENG, Yimin |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2009 |
| Journal volume | 25 |
| Pages of publication | 41 |
| a | 6.2054 ± 0.0009 Å |
| b | 10.4169 ± 0.0013 Å |
| c | 23.696 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1531.7 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.1317 |
| Residual factor for significantly intense reflections | 0.0797 |
| Weighted residual factors for significantly intense reflections | 0.177 |
| Weighted residual factors for all reflections included in the refinement | 0.202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216413 (current) | 2019-06-20 | cif/ Adding structures of 1551800 via cif-deposit CGI script. |
1551800.cif |
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