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Information card for entry 2242864
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| Coordinates | 2242864.cif |
|---|---|
| Structure factors | 2242864.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
|---|---|
| Formula | C17 H17 N O3 |
| Calculated formula | C17 H17 N O3 |
| SMILES | O=C(Nc1c(C)cccc1)c1cccc(OC(=O)C)c1C |
| Title of publication | Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl acetate |
| Authors of publication | Yaman, Mavişe; Cakmak, Şukriye; Dege, Necmi; Odabaşoğlu, Mustafa; Pavlenko, Vadim A.; Kutuk, Halil |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 423 - 427 |
| a | 7.7842 ± 0.0005 Å |
| b | 8.8802 ± 0.0005 Å |
| c | 22.2112 ± 0.0015 Å |
| α | 94.791 ± 0.005° |
| β | 97.62 ± 0.005° |
| γ | 90.043 ± 0.005° |
| Cell volume | 1516.37 ± 0.17 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 | 0.128 |
| Residual factor for significantly intense reflections | 0.0569 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.899 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214084 (current) | 2019-03-12 | cif/ hkl/ Adding structures of 2242864 via cif-deposit CGI script. |
2242864.cif 2242864.hkl |
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Users of the data should acknowledge the original authors of the
structural data.