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CIF Information Card
Information card for 2015392
2015391 << 2015392 >> 2015393Preview
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Coordinates |
2015392.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2-(4-Chlorophenyl)-8,8-dimethyl-5-phenyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one |
| Formula | - C24 H20 Cl N3 O - |
| Calculated formula | - C24 H20 Cl N3 O - |
| Title of publication | Four 2-aryl-8,8-dimethyl-6,7,8,9-tetrahydropyrazolo[2,3-<i>a</i>]quinazolin-6-ones: isolated molecules, hydrogen-bonded dimers, and π-stacked chains of hydrogen-bonded dimers |
| Authors of publication | Cruz, Silvia; Quiroga, Jairo; de la Torre, José M.; Cobo, Justo; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Journal issue | 6 |
| Pages of publication | o364 - o368 |
| a | 7.6778 ± 0.0002 Å |
| b | 8.1298 ± 0.0003 Å |
| c | 16.6417 ± 0.0005 Å |
| α | 89.08 ± 0.002° |
| β | 85.123 ± 0.002° |
| γ | 72.49 ± 0.002° |
| Cell volume | 987.06 ± 0.05 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0928 |
| Residual factor for observed reflections | 0.0486 |
| Weighted residual factors for the observed reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for observed reflections | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |