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CIF Information Card
Information card for 2014396
2014395 << 2014396 >> 2014397Preview
|
Coordinates |
2014396.cif |
|
Structure factors |
2014396.hkl |
Structure parameters
| Formula | - C3 H2 F3 N3 S - |
| Calculated formula | - C3 H2 F3 N3 S - |
| Title of publication | 2-Amino-5-trifluoromethyl-1,3,4-thiadiazole and a redetermination of 2-amino-1,3,4-thiadiazole, both at 120K: chains of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(10) rings, and sheets of <i>R</i>~2~^2^(8) and <i>R</i>~6~^6^(20) rings |
| Authors of publication | Boechat, Nubia; Ferreira, Sabrina B.; Glidewell, Christopher; Low, John N.; Skakle, Janet M. S.; Wardell, Solange M. S. V. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Pages of publication | o42 - o44 |
| a | 9.1082 ± 0.0012 Å |
| b | 6.9373 ± 0.001 Å |
| c | 10.8048 ± 0.0014 Å |
| α | 90° |
| β | 116.656 ± 0.009° |
| γ | 90° |
| Cell volume | 610.15 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 |