Information card for entry 2221174

Structure parameters

• Chemical name: 1-(1<i>H</i>-Benzimidazol-2-yl)-4-nitrobenzene dimethylformamide solvate
• Formula: C16 H16 N4 O3
• Calculated formula: C16 H16 N4 O3
• SMILES: c12ccccc1nc(c1ccc(cc1)N(=O)=O)[nH]2.C(=O)N(C)C
• Title of publication: 1-(1<i>H</i>-Benzimidazol-2-yl)-4-nitrobenzene dimethylformamide solvate
• Authors of publication: Wu, De-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o557
• a: 6.6228 ± 0.0013 Å
• b: 10.601 ± 0.002 Å
• c: 11.886 ± 0.002 Å
• α: 84.534 ± 0.01°
• β: 74.13 ± 0.02°
• γ: 81.53 ± 0.03°
• Cell volume: 792.6 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes