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Information card for entry 2242307
Preview
| Coordinates | 2242307.cif |
|---|---|
| Structure factors | 2242307.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Methylanilinium perchlorate |
|---|---|
| Formula | C7 H10 Cl N O4 |
| Calculated formula | C7 H10 Cl N O4 |
| SMILES | Cl(=O)(=O)(=O)[O-].[NH3+]c1ccc(cc1)C |
| Title of publication | Structure cristalline, caractérisation spectroscopique, calcul DFT et analyse de surface Hirshfeld du perchlorate de <i>p</i>-toluidinium |
| Authors of publication | Ben Jomaa, Meriam; Chebbi, Hammouda; Fakhar Bourguiba, Noura; Zid, Mohamed Faouzi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 2 |
| Pages of publication | 91 - 97 |
| a | 9.513 ± 0.001 Å |
| b | 7.196 ± 0.005 Å |
| c | 14.297 ± 0.004 Å |
| α | 90° |
| β | 90.41 ± 0.02° |
| γ | 90° |
| Cell volume | 978.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1301 |
| Residual factor for significantly intense reflections | 0.0674 |
| Weighted residual factors for significantly intense reflections | 0.1746 |
| Weighted residual factors for all reflections included in the refinement | 0.2121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205161 (current) | 2018-01-13 | cif/ hkl/ Adding structures of 2242307 via cif-deposit CGI script. |
2242307.cif 2242307.hkl |
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