Information card for entry 2019957

Structure parameters

• Chemical name: Ethyl 6-bromo-2-[(<i>E</i>)-2-phenylethenyl]quinoline-4-carboxylate
• Formula: C20 H16 Br N O2
• Calculated formula: C20 H16 Br N O2
• SMILES: Brc1ccc2nc(cc(c2c1)C(=O)OCC)/C=C/c1ccccc1
• Title of publication: Crystal structure of ethyl 6-bromo-2-[(E)-2-phenylethenyl]quinoline-4-carboxylate
• Authors of publication: Shrungesh Kumar, T. O.; Naveen, S.; Kumara, M. N.; Mahadevan, K. M.; Lokanath, N. K.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: o121
• a: 14.0819 ± 0.0007 Å
• b: 9.747 ± 0.0005 Å
• c: 24.0399 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3299.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes