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Information card for entry 2022799
Preview
| Coordinates | 2022799.cif |
|---|---|
| Structure factors | 2022799.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Amino-5-chlorobenzophenone oxime |
|---|---|
| Chemical name | 4-Chloro-2-[(hydroxyimino)(phenyl)methyl]aniline |
| Formula | C13 H11 Cl N2 O |
| Calculated formula | C13 H11 Cl N2 O |
| Title of publication | Crystal structure and Hirshfeld-surface analysis of a monoclinic polymorph of 2-amino-5-chlorobenzophenone oxime at 90 K |
| Authors of publication | Geetha, Doreswamy; Kavitha, Channappa N.; Divakara, Thayamma R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| a | 12.8264 ± 0.0003 Å |
| b | 5.5423 ± 0.0001 Å |
| c | 17.4082 ± 0.0004 Å |
| α | 90° |
| β | 109.522 ± 0.001° |
| γ | 90° |
| Cell volume | 1166.37 ± 0.04 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| 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 | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284697 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2022799 via cif-deposit CGI script. |
2022799.cif 2022799.hkl |
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