Information card for entry 2021359

Structure parameters

• Chemical name: 5,6-Dimethyl-2-phenylethylbenzo[<i>d</i>]imidazole hemihydrate
• Formula: C34 H38 N4 O
• Calculated formula: C34 H38 N4 O
• Title of publication: The structures of benzimidazole derivatives and their potential as tuberculostatics
• Authors of publication: Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 12
• a: 8.1685 ± 0.0001 Å
• b: 11.4832 ± 0.0002 Å
• c: 30.7638 ± 0.0004 Å
• α: 99.9705 ± 0.0005°
• β: 94.1047 ± 0.0005°
• γ: 90.9084 ± 0.0006°
• Cell volume: 2833.62 ± 0.07 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes