Information card for entry 2238870

Structure parameters

• Chemical name: 4-Chlorophenyl quinoline-2-carboxylate
• Formula: C16 H10 Cl N O2
• Calculated formula: C16 H10 Cl N O2
• SMILES: Clc1ccc(OC(=O)c2nc3c(cc2)cccc3)cc1
• Title of publication: 4-Chlorophenyl quinoline-2-carboxylate
• Authors of publication: Fazal, E.; Kaur, Manpreet; Sudha, B. S.; Nagarajan, S.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1841
• a: 6.38693 ± 0.00018 Å
• b: 16.8893 ± 0.0005 Å
• c: 12.2649 ± 0.0004 Å
• α: 90°
• β: 103.527 ± 0.003°
• γ: 90°
• Cell volume: 1286.32 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No