Information card for entry 2231172

Structure parameters

• Chemical name: (<i>E</i>)-Ethyl 2-cyano-3-(1<i>H</i>-pyrrol-2-yl)acrylate
• Formula: C10 H10 N2 O2
• Calculated formula: C10 H10 N2 O2
• SMILES: c1ccc(/C=C(\C#N)C(=O)OCC)[nH]1
• Title of publication: (<i>E</i>)-Ethyl 2-cyano-3-(1<i>H</i>-pyrrol-2-yl)acrylate
• Authors of publication: Yuvaraj, Haldorai; Gayathri, D.; Kalkhambkar, Rajesh G.; Gupta, Vivek K.; Rajnikant
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2135
• a: 6.2811 ± 0.0002 Å
• b: 9.4698 ± 0.0003 Å
• c: 16.3936 ± 0.0005 Å
• α: 90°
• β: 92.645 ± 0.003°
• γ: 90°
• Cell volume: 974.06 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes