Information card for entry 8103283

Structure parameters

• Formula: C14 H12 N2
• Calculated formula: C14 H12 N2
• SMILES: c1(c2c(cccc2)C)[nH]c2c(cccc2)n1
• Title of publication: Crystal structure of 2-o-tolyl-1H-benzo[d]imidazole, C14H12N2
• Authors of publication: Zhao-Hao Li; Li-Ping Xue
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 1
• Pages of publication: 71
• a: 8.8792 ± 0.0007 Å
• b: 8.8792 ± 0.0007 Å
• c: 14.391 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1134.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No