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Information card for entry 2007116
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| Coordinates | 2007116.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C15 H13 N3 |
|---|---|
| Calculated formula | C15 H13 N3 |
| Title of publication | 5,7-Dimethyl-3-phenyl-1,2,4-benzotriazine |
| Authors of publication | Nicoló, Francesco; Panzalorto, Manuela; Scopelliti, Rosario; Grassi, Giovanni; Risitano, Francesco |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 3 |
| Pages of publication | 405 - 407 |
| a | 7.089 ± 0.001 Å |
| b | 9.648 ± 0.002 Å |
| c | 9.798 ± 0.001 Å |
| α | 94.12 ± 0.01° |
| β | 108.04 ± 0.01° |
| γ | 101.22 ± 0.02° |
| Cell volume | 618.71 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.082 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections | 0.081 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Goodness-of-fit parameter for all reflections | 0.748 |
| Goodness-of-fit parameter for significantly intense reflections | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.