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Information card for entry 1549037
Preview
| Coordinates | 1549037.cif |
|---|---|
| Structure factors | 1549037.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Benzyl-3-methyl-quinoxalin-2(1<i>H</i>)-one |
|---|---|
| Formula | C16 H14 N2 O |
| Calculated formula | C16 H14 N2 O |
| SMILES | O=c1n(c2ccccc2nc1C)Cc1ccccc1 |
| Title of publication | 1-Benzyl-3-methylquinoxalin-2(1<i>H</i>)-one |
| Authors of publication | Ramli, Youssef; El Bakri, Youness; El Ghayati, L'houssaine; Essassi, El Mokhtar; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 3 |
| Pages of publication | x180390 |
| a | 7.3502 ± 0.0004 Å |
| b | 17.3508 ± 0.001 Å |
| c | 17.9449 ± 0.001 Å |
| α | 118.226 ± 0.001° |
| β | 100.042 ± 0.001° |
| γ | 92.294 ± 0.001° |
| Cell volume | 1965.63 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0584 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1241 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206894 (current) | 2018-03-10 | cif/ hkl/ Adding structures of 1549037 via cif-deposit CGI script. |
1549037.cif 1549037.hkl |
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Users of the data should acknowledge the original authors of the
structural data.