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Information card for entry 2242234
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| Coordinates | 2242234.cif |
|---|---|
| Structure factors | 2242234.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Phenyl <i>N</i>-(3,5-dimethylphenyl)carbamate |
|---|---|
| Formula | C15 H15 N O2 |
| Calculated formula | C15 H15 N O2 |
| SMILES | O(C(=O)Nc1cc(cc(c1)C)C)c1ccccc1 |
| Title of publication | Crystal structure of phenyl <i>N</i>-(3,5-dimethylphenyl)carbamate |
| Authors of publication | AaminaNaaz, Y.; Sathiyaraj, Subramaniyan; Kalaimani, Sundararaj; Nasar, A. Sultan; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 849 - 852 |
| a | 9.4257 ± 0.0004 Å |
| b | 12.2054 ± 0.0005 Å |
| c | 13.2067 ± 0.0006 Å |
| α | 62.979 ± 0.003° |
| β | 82.329 ± 0.003° |
| γ | 87.145 ± 0.003° |
| Cell volume | 1341.29 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0737 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242234.cif 2242234.hkl |
| 199197 | 2017-07-25 | cif/ hkl/ Adding structures of 2242234 via cif-deposit CGI script. |
2242234.cif 2242234.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.