Information card for entry 2023400

Structure parameters

• Common name: 4'-(Benzyloxy)-[1,1'-biphenyl]-3-carboxylic acid
• Chemical name: 3-[4-(Benzyloxy)phenyl]benzoic acid
• Formula: C20 H16 O3
• Calculated formula: C20 H16 O3
• SMILES: O(c1ccc(c2cc(ccc2)C(=O)O)cc1)Cc1ccccc1
• Title of publication: Crystal structure, Hirshfeld surface analysis, DFT and mol-ecular docking studies of 4'-(benz-yloxy)-[1,1'-biphen-yl]-3-carb-oxy-lic acid.
• Authors of publication: Kumar, M. Harish; Vinduvahini, M.; Srinivasa, H. T.; Devarajegowda, H. C.; Palakshamurthy, B. S.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2025
• Journal volume: 81
• Journal issue: Pt 3
• Pages of publication: 208 - 213
• a: 31.9237 ± 0.0013 Å
• b: 7.0199 ± 0.0003 Å
• c: 6.9184 ± 0.0003 Å
• α: 90°
• β: 91.864 ± 0.001°
• γ: 90°
• Cell volume: 1549.6 ± 0.11 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No