Information card for entry 2242272

Structure parameters

• Chemical name: Ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate
• Formula: C10 H9 N O2 S
• Calculated formula: C10 H9 N O2 S
• Title of publication: Crystal structure of ethyl (<i>E</i>)-2-cyano-3-(thiophen-2-yl)acrylate: two conformers forming a discrete disorder
• Authors of publication: Castro Agudelo, Brian; Cárdenas, Juan C.; Macías, Mario A.; Ochoa-Puentes, Cristian; Sierra, Cesar A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 9
• Pages of publication: 1287 - 1289
• a: 13.637 ± 0.002 Å
• b: 6.8965 ± 0.0016 Å
• c: 11.817 ± 0.003 Å
• α: 90°
• β: 109.28 ± 0.02°
• γ: 90°
• Cell volume: 1049 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes