Information card for entry 2241799

Structure parameters

• Chemical name: Methyl (<i>E</i>)-4-[2-(8-hydroxyquinolin-2-yl)vinyl]benzoate
• Formula: C19 H15 N O3
• Calculated formula: C19 H15 N O3
• SMILES: n1c2c(ccc1/C=C/c1ccc(C(=O)OC)cc1)cccc2O
• Title of publication: Crystal structure of methyl (<i>E</i>)-4-[2-(8-hydroxyquinolin-2-yl)vinyl]benzoate
• Authors of publication: Xu, Yu-Xing; Hu, Wei-Ji; Zhao, Guo-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1251 - 1253
• a: 12.0236 ± 0.0004 Å
• b: 9.7045 ± 0.0004 Å
• c: 13.2607 ± 0.0004 Å
• α: 90°
• β: 96.26 ± 0.002°
• γ: 90°
• Cell volume: 1538.07 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes