Information card for entry 2017300

Structure parameters

• Chemical name: (<i>E</i>)-3-(4-Methylphenyl)-2-(2-thienyl)acrylonitrile
• Formula: C14 H11 N S
• Calculated formula: C14 H11 N S
• Title of publication: (<i>E</i>)-3-(4-Methylphenyl)-2-(2-thienyl)acrylonitrile has <i>Z</i>' = 0.75 in the space group <i>C</i>2/<i>m</i>: fourfold disordered molecules lie in channels enclosed by fully ordered molecules
• Authors of publication: Cobo, Debora; Quiroga, Jairo; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o444 - o446
• a: 21.4869 ± 0.0007 Å
• b: 7.0302 ± 0.0003 Å
• c: 14.181 ± 0.0005 Å
• α: 90°
• β: 126.173 ± 0.002°
• γ: 90°
• Cell volume: 1729.22 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0634
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.25
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes