Information card for entry 2234525

Structure parameters

• Chemical name: Methyl (2<i>E</i>)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate
• Formula: C19 H17 N O3 S
• Calculated formula: C19 H17 N O3 S
• SMILES: c12c(ccc(C)n2)cccc1OCC(=C\c1cccs1)/C(=O)OC
• Title of publication: Methyl (2<i>E</i>)-2-{[(2-methylquinolin-8-yl)oxy]methyl}-3-(thiophen-2-yl)acrylate
• Authors of publication: Anand, S.; Narayanan, S.; Sundaramoorthy, S.; Velmurugan, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1496
• a: 24.545 ± 0.008 Å
• b: 8.689 ± 0.003 Å
• c: 15.809 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3371.6 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes