Information card for entry 2219478

Structure parameters

• Common name: quinclorac
• Chemical name: 3,7-Dichloroquinoline-8-carboxylic acid
• Formula: C10 H5 Cl2 N O2
• Calculated formula: C10 H5 Cl2 N O2
• SMILES: c1c(cc2ccc(c(c2n1)C(=O)O)Cl)Cl
• Title of publication: 3,7-Dichloroquinoline-8-carboxylic acid
• Authors of publication: Guo, Xin-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1786
• a: 7.5002 ± 0.0012 Å
• b: 8.4016 ± 0.0014 Å
• c: 8.732 ± 0.003 Å
• α: 102.529 ± 0.006°
• β: 93.439 ± 0.006°
• γ: 116.479 ± 0.004°
• Cell volume: 473 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes