Information card for entry 7224790

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: 9.977 ± 0.007 Å
• b: 7.1746 ± 0.0003 Å
• c: 12.7576 ± 0.0006 Å
• α: 90°
• β: 93.545 ± 0.013°
• γ: 90°
• Cell volume: 911.5 ± 0.6 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: 0.1064
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No