Information card for entry 2005622

Structure parameters

• Chemical name: 1,1'-diacetyl-2,2'-biimidazole
• Formula: C10 H10 N4 O2
• Calculated formula: C10 H10 N4 O2
• SMILES: CC(=O)n1ccnc1c1nccn1C(=O)C
• Title of publication: 1,1'-Diacetyl-2,2'-biimidazole
• Authors of publication: Secondo, P. M.; Hester, C. A.; Collier, H. L.; Baughman, R. G.; Cordes, A. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2882 - 2883
• a: 11.987 ± 0.002 Å
• b: 9.7183 ± 0.0015 Å
• c: 10.2177 ± 0.0012 Å
• α: 90°
• β: 119.889 ± 0.009°
• γ: 90°
• Cell volume: 1032 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1062
• Weighted residual factors for significantly intense reflections: 0.0998
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No