Information card for entry 7215295

Structure parameters

• Common name: 4-(1-H-imidaozol-1-yl)benzoic Acid
• Formula: C10 H11 Cl N2 O3
• Calculated formula: C10 H9 Cl N2 O3
• SMILES: [Cl-].OC(=O)c1ccc([n+]2c[nH]cc2)cc1.O
• Title of publication: Acentric and chiral four-connected metal‒organic frameworks based on the racemic binaphthol-like chiral ligand of 4-(1-H(or methyl)-imidaozol-1-yl)benzoic acid
• Authors of publication: Cui, Ke-Hui; Yao, Shi-Yan; Li, Hai-Qin; Li, Yan-Tao; Zhao, Hai-Ping; Jiang, Chun-Jie; Tian, Yun-Qi
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 3432
• a: 7.2013 ± 0.0016 Å
• b: 7.3815 ± 0.0016 Å
• c: 11.328 ± 0.002 Å
• α: 77.121 ± 0.003°
• β: 77.612 ± 0.002°
• γ: 75.969 ± 0.003°
• Cell volume: 561.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0731
• Weighted residual factors for significantly intense reflections: 0.2171
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No