Information card for entry 8103097

Structure parameters

• Formula: C13 H12 N4
• Calculated formula: C13 H12 N4
• Title of publication: Crystal structure of 1-(4,6-dimethylpyrimidin-2-yl)benzimidazole, C13H12N4
• Authors of publication: Hong-Mei Li; Chen Xu; Hu Liu; Zhi-Qiang Zhang; Jing-Cai Yao; Yu-Qing Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 89
• a: 8.6824 ± 0.0014 Å
• b: 17.542 ± 0.003 Å
• c: 7.571 ± 0.0012 Å
• α: 90°
• β: 90.649 ± 0.002°
• γ: 90°
• Cell volume: 1153 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No