Information card for entry 2232394

Structure parameters

• Chemical name: 4-Chloro-6,7-dimethoxyquinoline
• Formula: C11 H10 Cl N O2
• Calculated formula: C11 H10 Cl N O2
• SMILES: c1(ccnc2cc(c(cc12)OC)OC)Cl
• Title of publication: 4-Chloro-6,7-dimethoxyquinoline
• Authors of publication: Wu, Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3012
• a: 12.553 ± 0.0017 Å
• b: 4.6499 ± 0.0007 Å
• c: 18.274 ± 0.003 Å
• α: 90°
• β: 105.786 ± 0.002°
• γ: 90°
• Cell volume: 1026.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes