Information card for entry 2233173

Structure parameters

• Chemical name: 6-Chloroquinolin-2(1<i>H</i>)-one
• Formula: C9 H6 Cl N O
• Calculated formula: C9 H6 Cl N O
• SMILES: Clc1cc2c([nH]c(=O)cc2)cc1
• Title of publication: 6-Chloroquinolin-2(1<i>H</i>)-one
• Authors of publication: Zhang, Chen-Guang; Luo, Yang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o188
• a: 24.951 ± 0.019 Å
• b: 7.733 ± 0.006 Å
• c: 7.988 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes