Information card for entry 7240549

Structure parameters

• Common name: 2-(3-Chlorophenyl)-1H-benzimidazole
• Chemical name: 2-(3-Chlorophenyl)-1H-benzimidazole
• Formula: C13 H9 Cl N2
• Calculated formula: C13 H9 Cl N2
• Title of publication: Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles
• Authors of publication: Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 12.5894 ± 0.001 Å
• b: 9.5051 ± 0.0008 Å
• c: 9.7495 ± 0.0007 Å
• α: 90°
• β: 111.933 ± 0.008°
• γ: 90°
• Cell volume: 1082.22 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1044
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No