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Information card for entry 2022759
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| Coordinates | 2022759.cif |
|---|---|
| Structure factors | 2022759.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Phenyl-1<i>H</i>-1,3-benzodiazol-2(3<i>H</i>)-one |
|---|---|
| Formula | C13 H10 N2 O |
| Calculated formula | C13 H10 N2 O |
| Title of publication | Polymorphic structures of 3-phenyl-1<i>H</i>-1,3-benzo-diazol-2(3<i>H</i>)-one. |
| Authors of publication | Hong, Dabeen; Lee, Kyounghoon |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 6 |
| Pages of publication | 534 - 537 |
| a | 18.0187 ± 0.0009 Å |
| b | 6.4455 ± 0.0003 Å |
| c | 18.7315 ± 0.001 Å |
| α | 90° |
| β | 111.181 ± 0.003° |
| γ | 90° |
| Cell volume | 2028.5 ± 0.18 Å3 |
| Cell temperature | 193.15 K |
| Ambient diffraction temperature | 193.15 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 | 0.0498 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.099 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285049 (current) | 2023-07-06 | cif/ Updating files of 2022759, 2022760 Original log message: Adding full bibliography for 2022759--2022760.cif. |
2022759.cif 2022759.hkl |
| 283739 | 2023-05-13 | cif/ hkl/ Adding structures of 2022759, 2022760 via cif-deposit CGI script. |
2022759.cif 2022759.hkl |
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Users of the data should acknowledge the original authors of the
structural data.