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CIF Information Card
Information card for 2015391
2015390 << 2015391 >> 2015392Preview
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Coordinates |
2015391.cif |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | 2-(4-Methoxyphenyl)-5,8,8-trimethyl-6,7,8,9- tetrahydropyrazolo[2,3-a]quinazolin-6-one |
| Formula | - C20 H21 N3 O2 - |
| Calculated formula | - C20 H21 N3 O2 - |
| 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 | 17.7659 ± 0.0006 Å |
| b | 8.573 ± 0.0002 Å |
| c | 11.3982 ± 0.0003 Å |
| α | 90° |
| β | 101.094 ± 0.002° |
| γ | 90° |
| Cell volume | 1703.56 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0783 |
| Residual factor for observed reflections | 0.0533 |
| Weighted residual factors for the observed reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1526 |
| Goodness-of-fit parameter for observed reflections | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |