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CIF Information Card
Information card for 2012574
2012573 << 2012574 >> 2012575Preview
|
Coordinates |
2012574.cif |
|
Structure factors |
2012574.hkl |
Structure parameters
| Formula | - C12 H12 Cl N O2 S - |
| Calculated formula | - C12 H12 Cl N O2 S - |
| Title of publication | Flat versus twisted rotamers of 2,4-disubstituted thiazoles: the effect of intermolecular hydrogen bonds |
| Authors of publication | Bernès, Sylvain; Berros, Martha I.; Rodríguez de Barbarín, Cecilia; Sánchez-Viesca, Francisco |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o151 - o153 |
| a | 7.3379 ± 0.0009 Å |
| b | 19.242 ± 0.002 Å |
| c | 8.7798 ± 0.0008 Å |
| α | 90° |
| β | 93.738 ± 0.009° |
| γ | 90° |
| Cell volume | 1237.1 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 |