Information card for entry 2222826

Structure parameters

• Chemical name: 3,3'-(2,2'-Bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanamide
• Formula: C12 H16 N6 O2
• Calculated formula: C12 H16 N6 O2
• SMILES: NC(=O)CCn1ccnc1c1nccn1CCC(=O)N
• Title of publication: 3,3'-(2,2'-Bi-1<i>H</i>-imidazole-1,1'-diyl)dipropanamide
• Authors of publication: Zhi, Y.-X.; Long, J.; Chen, J.-Y.; Ren, Y.-T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2008
• a: 18.445 ± 0.004 Å
• b: 4.8622 ± 0.001 Å
• c: 13.446 ± 0.003 Å
• α: 90°
• β: 93.38 ± 0.03°
• γ: 90°
• Cell volume: 1203.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes