Information card for entry 2225539

Structure parameters

• Chemical name: 2-methylbenzimidazolium nitrate
• Formula: C8 H9 N3 O3
• Calculated formula: C8 H9 N3 O3
• SMILES: O=N(=O)[O-].[nH]1c([nH+]c2c1cccc2)C
• Title of publication: 2-Methylbenzimidazolium nitrate
• Authors of publication: Ma, Qingshuang; Duan, Wenzeng; Ma, Yudao; Liu, Xiao; Qu, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o814
• a: 7.711 ± 0.004 Å
• b: 15.127 ± 0.007 Å
• c: 8.27 ± 0.004 Å
• α: 90°
• β: 99.398 ± 0.007°
• γ: 90°
• Cell volume: 951.7 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0587
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes