Information card for entry 2225165

Structure parameters

• Chemical name: 2-Chloroquinoline-3-carboxylic acid
• Formula: C10 H6 Cl N O2
• Calculated formula: C10 H6 Cl N O2
• SMILES: OC(=O)c1cc2ccccc2nc1Cl
• Title of publication: 2-Chloroquinoline-3-carboxylic acid
• Authors of publication: Ladraa, Souheila; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o693
• a: 5.8193 ± 0.0002 Å
• b: 8.0689 ± 0.0003 Å
• c: 18.178 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 853.55 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 n b
• Hall space group symbol: P -2bc 2a
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes