Information card for entry 8104771

Structure parameters

• Formula: C13 H8 Br Cl N2 O
• Calculated formula: C13 H8 Br Cl N2 O
• Title of publication: The crystal structure of 2-(1H-benzimidazol-2-yl)-3-bromo-5-chlorophenol, C13H8BrClN2O
• Authors of publication: Li, Weili; Yang, Bo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 577 - 578
• a: 11.7584 ± 0.0005 Å
• b: 7.4336 ± 0.0003 Å
• c: 14.1134 ± 0.0006 Å
• α: 90°
• β: 104.861 ± 0.002°
• γ: 90°
• Cell volume: 1192.35 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No