Information card for entry 2200127

Structure parameters

• Chemical name: 3-chloro-2-methylquinolin-4-one
• Formula: C10 H8 Cl N O
• Calculated formula: C10 H8 Cl N O
• SMILES: Clc1c([nH]c2ccccc2c1=O)C
• Title of publication: 3-Chloro-2-methylquinolin-4(1<i>H</i>)-one
• Authors of publication: Vasuki, G.; Parthasarathi, V.; Ramamurthi, K.; Jaisankar, P.; Varghese, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o234 - o235
• a: 24.493 ± 0.004 Å
• b: 6.365 ± 0.002 Å
• c: 12.859 ± 0.008 Å
• α: 90°
• β: 117.24 ± 0.003°
• γ: 90°
• Cell volume: 1782.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes