Information card for entry 2228414

Structure parameters

• Chemical name: 4-Chlorobenzoic acid‒quinoline (1/1)
• Formula: C16 H12 Cl N O2
• Calculated formula: C16 H12 Cl N O2
• SMILES: Clc1ccc(cc1)C(=O)O.n1cccc2ccccc12
• Title of publication: 4-Chlorobenzoic acid‒quinoline (1/1)
• Authors of publication: Gotoh, Kazuma; Katagiri, Kaori; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3190
• a: 13.2385 ± 0.0005 Å
• b: 3.8307 ± 0.0002 Å
• c: 26.2464 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1331.03 ± 0.1 ų
• Cell temperature: 185 ± 1 K
• Ambient diffraction temperature: 185 ± 1 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes