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Information card for entry 2244108
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| Coordinates | 2244108.cif |
|---|---|
| Structure factors | 2244108.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-<i>N</i>-(4-methoxyphenyl)acetamide |
|---|---|
| Formula | C9 H10 Cl N O2 |
| Calculated formula | C9 H10 Cl N O2 |
| SMILES | ClCC(=O)Nc1ccc(OC)cc1 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 2-chloro-<i>N</i>-(4-methoxyphenyl)acetamide |
| Authors of publication | Missioui, Mohcine; Guerrab, Walid; Nchioua, Intissar; El Moutaouakil Ala Allah, Abderrazzak; Kalonji Mubengayi, Camille; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 7 |
| a | 10.0939 ± 0.0005 Å |
| b | 9.6423 ± 0.0005 Å |
| c | 10.2799 ± 0.0005 Å |
| α | 90° |
| β | 115.531 ± 0.002° |
| γ | 90° |
| Cell volume | 902.83 ± 0.08 Å3 |
| Cell temperature | 172 ± 2 K |
| Ambient diffraction temperature | 172 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0864 |
| Weighted residual factors for all reflections included in the refinement | 0.0913 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275902 (current) | 2022-06-08 | cif/ hkl/ Adding structures of 2244108 via cif-deposit CGI script. |
2244108.cif 2244108.hkl |
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Users of the data should acknowledge the original authors of the
structural data.