Information card for entry 8102726

Structure parameters

• Chemical name: 2-(2-Amino-5-chlorophenyl)-1H-benzimidazole, C~13~H~10~ClN~3~
• Formula: C13 H10 Cl N3
• Calculated formula: C13 H10 Cl N3
• SMILES: Clc1cc(c(N)cc1)c1[nH]c2ccccc2n1
• Title of publication: Crystal structure of 2-(2-amino-5-chlorophenyl)-1H-benzimidazole, C13H10ClN3
• Authors of publication: Yue Wang; Li Li Di; Guo Wu Lin; Tao Lu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 457
• a: 8.685 ± 0.0017 Å
• b: 6.648 ± 0.0013 Å
• c: 19.264 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1112.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No