Information card for entry 2200081

Structure parameters

• Chemical name: 2-Chloro-4-methylquinoline
• Formula: C10 H8 Cl N
• Calculated formula: C10 H8 Cl N
• SMILES: n1c(Cl)cc(C)c2ccccc12
• Title of publication: 2-Chloro-4-methylquinoline
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o54 - o55
• a: 12.721 ± 0.003 Å
• b: 7.8961 ± 0.0016 Å
• c: 16.617 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1669.1 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes