Information card for entry 7224795

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
• SMILES: OC.[nH]1cnc2c1cc(c(c2)C)C
• 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: 10.027 ± 0.01 Å
• b: 7.0054 ± 0.0013 Å
• c: 6.5581 ± 0.0012 Å
• α: 116.173 ± 0.019°
• β: 94.86 ± 0.03°
• γ: 90.02 ± 0.04°
• Cell volume: 411.6 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1133
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No