Information card for entry 2238786

Structure parameters

• Chemical name: Ethyl (2<i>E</i>)-2-cyano-3-(4-methoxyphenyl)acrylate
• Formula: C13 H13 N O3
• Calculated formula: C13 H13 N O3
• SMILES: CCOC(=O)/C(=C/c1ccc(cc1)OC)C#N
• Title of publication: Ethyl (2<i>E</i>)-2-cyano-3-(4-methoxyphenyl)acrylate
• Authors of publication: Suchetan, P. A.; Palakshamurthy, B. S.; Mohan, N. R.; Madan Kumar, S.; Lokanath, N. K.; Sreenivasa, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1610
• a: 8.4889 ± 0.0012 Å
• b: 8.3552 ± 0.0016 Å
• c: 17.143 ± 0.003 Å
• α: 90°
• β: 91.294 ± 0.011°
• γ: 90°
• Cell volume: 1215.6 ± 0.4 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: 0.0864
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No