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CIF Information Card
Information card for 2014402
2014401 << 2014402 >> 2014403Preview
|
Coordinates |
2014402.cif |
|
Structure factors |
2014402.hkl |
Structure parameters
| Formula | - C14 H13 N5 O2 S - |
| Calculated formula | - C14 H13 N5 O2 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 | 7.9401 ± 0.0002 Å |
| b | 8.8642 ± 0.0003 Å |
| c | 11.3717 ± 0.0004 Å |
| α | 68.771 ± 0.0017° |
| β | 85.792 ± 0.002° |
| γ | 72.214 ± 0.002° |
| Cell volume | 709.77 ± 0.04 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |