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CIF Information Card
Information card for 2012573
2012572 << 2012573 >> 2012574Preview
|
Coordinates |
2012573.cif |
|
Structure factors |
2012573.hkl |
Structure parameters
| Formula | - C11 H11 Cl N2 O2 S - |
| Calculated formula | - C11 H11 Cl N2 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 | 7.2398 ± 0.0011 Å |
| b | 8.6611 ± 0.0012 Å |
| c | 11.0585 ± 0.0018 Å |
| α | 107.84 ± 0.012° |
| β | 106.719 ± 0.013° |
| γ | 97.729 ± 0.011° |
| Cell volume | 613.04 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |