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CIF Information Card
Information card for 2014401
2014400 << 2014401 >> 2014402Preview
|
Coordinates |
2014401.cif |
|
Structure factors |
2014401.hkl |
Structure parameters
| Formula | - C15 H16 N4 S - |
| Calculated formula | - C15 H16 N4 S - |
| Title of publication | Isolated molecules in 2-ethylsulfanyl-7-methyl-4-(4-methylphenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine and hydrogen-bonded sheets of <i>R</i>~2~^2^(10), <i>R</i>~2~^2^(16), <i>R</i>~4~^4^(22) and <i>R</i>~4~^4^(24) rings in 2-ethylsulfanyl-7-methyl-4-(4-nitrophenyl)pyrazolo[1,5-<i>a</i>][1,3,5]triazine |
| Authors of publication | Insuasty, Henry; Estrada, Martin; Cobo, Justo; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Pages of publication | o122 - o124 |
| a | 16.0941 ± 0.0005 Å |
| b | 5.5573 ± 0.0002 Å |
| c | 15.2495 ± 0.0005 Å |
| α | 90° |
| β | 96.2994 ± 0.0017° |
| γ | 90° |
| Cell volume | 1355.68 ± 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 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |