Information card for entry 2243859

Structure parameters

• Chemical name: 2-[(1<i>H</i>-Benzimidazol-1-yl)methyl]benzoic acid
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: C(=O)(c1ccccc1Cn1cnc2ccccc12)O
• Title of publication: Crystal structure, Hirshfeld and electronic transition analysis of 2-[(1<i>H</i>-benzimidazol-1-yl)methyl]benzoic acid
• Authors of publication: Ali, Arif; Muslim, Mohd; Kamaal, Saima; Ahmed, Adeeba; Ahmad, Musheer; Shahid, M.; Khan, Jamal A.; Dege, Necmi; Javed, Saleem; Mashrai, Ashraf
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 7
• Pages of publication: 755 - 758
• a: 6.569 ± 0.0008 Å
• b: 12.7956 ± 0.0015 Å
• c: 14.1278 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1187.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes