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CIF Information Card
Information card for 2012500
2012499 << 2012500 >> 2012501Preview
|
Coordinates |
2012500.cif |
|
Structure factors |
2012500.hkl |
Structure parameters
| Formula | - C16 H12 Br N3 O - |
| Calculated formula | - C16 H12 Br N3 O - |
| Title of publication | 2-(4-Bromophenyl)-1,2-dihydropyrimido[1,2-a]benzimidazol-4(3H)-one and 4-(4-methylphenyl)-3,4-dihydropyrimido[1,2-a]benzimidazol-2(1H)-one form hydrogen-bonded base-paired dimers |
| Authors of publication | Low, John Nicolson; Cobo, Justo; Insuasty, Braulio; Nogueras, Manuel; Salcedo, Angela; Sánchez, Adolfo |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o125 - o128 |
| a | 6.8807 ± 0.0002 Å |
| b | 16.2254 ± 0.0006 Å |
| c | 13.3379 ± 0.0005 Å |
| α | 90° |
| β | 111.28 ± 0.002° |
| γ | 90° |
| Cell volume | 1387.54 ± 0.08 Å3 |
| Cell temperature | 120 ± 1 K |
| Ambient diffraction temperature | 120 ± 1 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 |