Information card for entry 7224791

Structure parameters

• Common name: 5,6-dimethylbenzimidazole methanol solvate
• Chemical name: 5,6-dimethylbenzimidazole methanol solvate
• Formula: C10 H14 N2 O
• Calculated formula: C10 H14 N2 O
• Title of publication: Pressure-induced preference for solvation of 5,6-dimethylbenzimidazole
• Authors of publication: Zielinski, Witold; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 18
• Pages of publication: 3211
• a: 9.96 ± 0.012 Å
• b: 7.1574 ± 0.001 Å
• c: 12.579 ± 0.0008 Å
• α: 90°
• β: 93.71 ± 0.02°
• γ: 90°
• Cell volume: 894.8 ± 1.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1198
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No