Information card for entry 2218148

Structure parameters

• Chemical name: 4-[(<i>E</i>)-Phenyliminomethyl]benzonitrile
• Formula: C14 H10 N2
• Calculated formula: C14 H10 N2
• SMILES: N(=C/c1ccc(cc1)C#N)\c1ccccc1
• Title of publication: 4-[(<i>E</i>)-Phenyliminomethyl]benzonitrile
• Authors of publication: Kashmiri, Mmuhammad Akram; Tahir, M. Nawaz; Akhtar, Muhammad; Ahmed, Mushtaq; Hanif Ch, Asif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o790
• a: 7.2673 ± 0.0004 Å
• b: 10.0287 ± 0.0007 Å
• c: 15.4306 ± 0.0012 Å
• α: 90°
• β: 96.177 ± 0.002°
• γ: 90°
• Cell volume: 1118.08 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes