Information card for entry 2228611

Structure parameters

• Common name: 2-[(<i>E</i>)-1-(4-Methoxyphenyl)pent-1-en-3-ylidene]malononitrile
• Chemical name: 2-[(<i>E</i>)-1-(4-Methoxyphenyl)pent-1-en-3-ylidene]propanedinitrile
• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: O(c1ccc(/C=C/C(=C(C#N)C#N)CC)cc1)C
• Title of publication: 2-[(<i>E</i>)-1-(4-Methoxyphenyl)pent-1-en-3-ylidene]malononitrile
• Authors of publication: Chen, Lian-Mei; Kang, Tai-Ran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3148
• a: 12.3371 ± 0.0003 Å
• b: 8.8832 ± 0.0002 Å
• c: 12.8554 ± 0.0003 Å
• α: 90°
• β: 108.05 ± 0.002°
• γ: 90°
• Cell volume: 1339.53 ± 0.06 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: 0.0412
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes