Information card for entry 2223386

Structure parameters

• Chemical name: (2<i>Z</i>)-2-(4-Methylphenyl)-3-(2-naphthyl)prop-2-enenitrile
• Formula: C20 H15 N
• Calculated formula: C20 H15 N
• SMILES: N#CC(=C\c1cc2ccccc2cc1)/c1ccc(cc1)C
• Title of publication: (2<i>Z</i>)-2-(4-Methylphenyl)-3-(2-naphthyl)prop-2-enenitrile
• Authors of publication: Asiri, Abdullah Mohamed; Akkurt, Mehmet; Khan, Islam Ullah; Arshad, Muhammad N.; Khan, Salman A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2409
• a: 12.3194 ± 0.0011 Å
• b: 16.4796 ± 0.0016 Å
• c: 7.2596 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1473.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1849
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1743
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes