Information card for entry 2229011

Structure parameters

• Chemical name: 4-(Imidazol-1-yl)benzoic acid
• Formula: C10 H8 N2 O2
• Calculated formula: C10 H8 N2 O2
• SMILES: OC(=O)c1ccc(n2cncc2)cc1
• Title of publication: 4-(Imidazol-1-yl)benzoic acid
• Authors of publication: Zheng, Zheng; Geng, Wen-Qian; Wu, Zhi-Chao; Zhou, Hong-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o524
• a: 4.1443 ± 0.0011 Å
• b: 6.6561 ± 0.0019 Å
• c: 15.706 ± 0.004 Å
• α: 90°
• β: 101.023 ± 0.007°
• γ: 90°
• Cell volume: 425.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.712
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes