Information card for entry 1549947

Structure parameters

• Common name: 2-propyl-1H-benzimidazole
• Formula: C10 H12 N2
• Calculated formula: C10 H12 N2
• Title of publication: Conformational aspects of polymorphs and phases of 2-propyl-1<i>H</i>-benzimidazole
• Authors of publication: Zuñiga, Fco. Javier; Cruz-Cabeza, Aurora J.; Aretxabaleta, Xabier M.; de la Pinta, Noelia; Breczewski, Tomasz; Quesada-Moreno, María Mar; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Claramunt, Rosa M.; Elguero, Jose
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 6
• a: 8.99566 ± 0.00012 Å
• b: 21.5226 ± 0.0003 Å
• c: 9.8982 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1916.39 ± 0.04 ų
• Cell temperature: 380 K
• Ambient diffraction temperature: 380 K
• Number of distinct elements: 3
• Space group number: 57
• Hermann-Mauguin space group symbol: P c a m
• Hall space group symbol: -P 2c 2ac
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0415
• Goodness-of-fit parameter for all reflections: 1.28
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54051 Å
• Diffraction radiation type: CuKα-1-
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No