Information card for entry 7224793

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]1cnc2cc(c(cc12)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: 10.037 ± 0.002 Å
• b: 7.0477 ± 0.001 Å
• c: 6.6292 ± 0.001 Å
• α: 115.381 ± 0.014°
• β: 94.711 ± 0.014°
• γ: 90.103 ± 0.014°
• Cell volume: 421.88 ± 0.13 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: 0.0925
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1529
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No