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Information card for entry 2204665
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| Coordinates | 2204665.cif |
|---|---|
| Structure factors | 2204665.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Chloro-3-(4-chlorophenyl)-3,4-dihydroquinazolin-2(1H)-one–acetone (2/1) |
|---|---|
| Formula | C15.5 H13 Cl2 N2 O1.5 |
| Calculated formula | C15.5 H13 Cl2 N2 O1.5 |
| Title of publication | 6-Chloro-3-(4-chlorophenyl)-3,4-dihydroquinazolin-2(1<i>H</i>)-one acetone hemisolvate |
| Authors of publication | Da-Qing Shi; Zheng-Yi Li; Chunl-Ling Shi; Xiang-Shan Wang; Yong Zhang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 12 |
| Pages of publication | o2465 - o2467 |
| a | 5.806 ± 0.0018 Å |
| b | 13.25 ± 0.004 Å |
| c | 18.81 ± 0.006 Å |
| α | 90° |
| β | 90.802 ± 0.007° |
| γ | 90° |
| Cell volume | 1446.9 ± 0.8 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0517 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1091 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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