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Information card for entry 2200473
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| Coordinates | 2200473.cif |
|---|---|
| Structure factors | 2200473.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-p-Toluoylquinoxaline |
|---|---|
| Formula | C16 H12 N2 O |
| Calculated formula | C16 H12 N2 O |
| SMILES | c1(cnc2ccccc2n1)C(=O)c1ccc(cc1)C |
| Title of publication | 2-<i>p</i>-Toluoylquinoxaline |
| Authors of publication | Chowdhury, Krishna; Mukhopadhyay, Rupa; Mukherjee, Monika; Broder, Charlotte K.; Kundu, Nitya G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | o794 - o795 |
| a | 5.5973 ± 0.0002 Å |
| b | 18.5701 ± 0.0005 Å |
| c | 11.8195 ± 0.0003 Å |
| α | 90° |
| β | 91.304 ± 0.001° |
| γ | 90° |
| Cell volume | 1228.23 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for all reflections included in the refinement | 0.1273 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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