Information card for entry 1543129

Structure parameters

• Chemical name: 4-Aminobenzoic acid‒quinoline (1/1)
• Formula: C16 H14 N2 O2
• Calculated formula: C16 H14 N2 O2
• SMILES: c1(ccc(cc1)N)C(=O)O.c1ccc2ccccc2n1
• Title of publication: 4-Aminobenzoic acid‒quinoline (1/1)
• Authors of publication: Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160604
• a: 7.6842 ± 0.0007 Å
• b: 8.1013 ± 0.0006 Å
• c: 22.0669 ± 0.0016 Å
• α: 90°
• β: 90.893 ± 0.003°
• γ: 90°
• Cell volume: 1373.54 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes