Information card for entry 2207607

Structure parameters

• Chemical name: 1H-benzimidazole
• Formula: C7 H6 N2
• Calculated formula: C7 H6 N2
• SMILES: [nH]1cnc2ccccc12
• Title of publication: Polymorph β of 1<i>H</i>-benzimidazole
• Authors of publication: Sławomir Krawczyk; Maria Gdaniec
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4116 - o4118
• a: 9.7257 ± 0.0011 Å
• b: 16.6879 ± 0.0017 Å
• c: 7.6056 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1234.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes