Information card for entry 7220634

Structure parameters

• Common name: 5,6-dimethylbenzimidazole phase beta
• Chemical name: 5,6-dimethylbenzimidazole phase beta
• Formula: C9 H9.67 N2
• Calculated formula: C9 H9.66667 N2
• Title of publication: Hydrate smaller than the anhydrate
• Authors of publication: Zieliński, Witold; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 5468
• a: 6.538 ± 0.003 Å
• b: 26.99 ± 0.14 Å
• c: 13.93 ± 0.005 Å
• α: 90°
• β: 102.68 ± 0.04°
• γ: 90°
• Cell volume: 2398 ± 13 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.2291
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No