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Information card for entry 7230556
Preview
| Coordinates | 7230556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H15 N O2 |
|---|---|
| Calculated formula | C15 H15 N O2 |
| Title of publication | Solution growth and thermal treatment of crystals lead to two new forms of 2-((2,6-dimethylphenyl)amino)benzoic acid |
| Authors of publication | Hu, Rong; Zhoujin, Yunping; Liu, Meng; Zhang, Mingtao; Parkin, Sean; Zhou, Panpan; Wang, Jianzhi; Yu, Faquan; Long, Sihui |
| Journal of publication | RSC Advances |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 28 |
| Pages of publication | 15459 |
| a | 7.524 ± 0.002 Å |
| b | 8.103 ± 0.002 Å |
| c | 11.191 ± 0.003 Å |
| α | 72.582 ± 0.004° |
| β | 83.74 ± 0.004° |
| γ | 73.854 ± 0.004° |
| Cell volume | 625.1 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1385 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230556.cif |
| 207464 | 2018-04-24 | cif/ Adding structures of 7230555, 7230556 via cif-deposit CGI script. |
7230556.cif |
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Users of the data should acknowledge the original authors of the
structural data.