Information card for entry 2232099

Structure parameters

• Chemical name: (<i>E</i>)-2-[1-(4-Fluorophenyl)pent-1-en-3-ylidene]malononitrile
• Formula: C14 H11 F N2
• Calculated formula: C14 H11 F N2
• SMILES: C(#N)C(=C(\CC)/C=C/c1ccc(F)cc1)\C#N
• Title of publication: (<i>E</i>)-2-[1-(4-Fluorophenyl)pent-1-en-3-ylidene]malononitrile
• Authors of publication: Kang, Tai-Ran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2582
• a: 7.6504 ± 0.0002 Å
• b: 12.4989 ± 0.0003 Å
• c: 12.7787 ± 0.0003 Å
• α: 90°
• β: 98.375 ± 0.002°
• γ: 90°
• Cell volume: 1208.89 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes