Information card for entry 2228910

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-Benzyl-2-cyano-3-phenylacrylamide
• Formula: C17 H14 N2 O
• Calculated formula: C17 H14 N2 O
• SMILES: O=C(NCc1ccccc1)C(=C\c1ccccc1)\C#N
• Title of publication: (<i>E</i>)-<i>N</i>-Benzyl-2-cyano-3-phenylacrylamide
• Authors of publication: Kang, Tai-Ran; Chen, Lian-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o8
• a: 5.8956 ± 0.0003 Å
• b: 9.9224 ± 0.0005 Å
• c: 12.14 ± 0.0007 Å
• α: 94.508 ± 0.005°
• β: 99.544 ± 0.004°
• γ: 98.895 ± 0.004°
• Cell volume: 687.95 ± 0.06 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes