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CIF Information Card
Information card for 2012605
2012604 << 2012605 >> 2012606Preview
|
Coordinates |
2012605.cif |
|
Structure factors |
2012605.hkl |
Structure parameters
| Formula | - C19 H17 N3 O4 S - |
| Calculated formula | - C19 H17 N3 O4 S - |
| Title of publication | Ethyl 2-{[2-(3-nitrophenyl)-5-phenyl-1H-imidazol-4-yl]sulfanyl}acetate: synthesis via a microwave mediated combinatorial chemistry approach |
| Authors of publication | Gallagher, John F.; Coleman, Clare M.; O'Shea, Donal F. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o139 - o141 |
| a | 10.5606 ± 0.0013 Å |
| b | 12.1254 ± 0.0009 Å |
| c | 14.8196 ± 0.001 Å |
| α | 90° |
| β | 107.389 ± 0.006° |
| γ | 90° |
| Cell volume | 1810.9 ± 0.3 Å3 |
| Cell temperature | 292 ± 1 K |
| Ambient diffraction temperature | 292 ± 1 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |