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Information card for entry 2022987
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| Coordinates | 2022987.cif |
|---|---|
| Structure factors | 2022987.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Methoxyanilinium chloride |
|---|---|
| Formula | C7 H10 Cl N O |
| Calculated formula | C7 H10 Cl N O |
| Title of publication | Temperature-dependent solid-state phase transition with twinning in the crystal structure of 4-meth-oxy-anilinium chloride. |
| Authors of publication | Uppu, Rao M.; Babu, Sainath; Fronczek, Frank R. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 1 |
| Pages of publication | 58 - 61 |
| a | 8.3039 ± 0.0006 Å |
| b | 21.6993 ± 0.0015 Å |
| c | 8.8495 ± 0.0006 Å |
| α | 90° |
| β | 90.077 ± 0.002° |
| γ | 90° |
| Cell volume | 1594.58 ± 0.19 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0749 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 289688 (current) | 2024-02-05 | cif/ Updating files of 2022986, 2022987 Original log message: Adding full bibliography for 2022986--2022987.cif. |
2022987.cif 2022987.hkl |
| 288524 | 2023-12-23 | cif/ hkl/ Adding structures of 2022986, 2022987 via cif-deposit CGI script. |
2022987.cif 2022987.hkl |
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Users of the data should acknowledge the original authors of the
structural data.