Information card for entry 2220249

Structure parameters

• Chemical name: <i>N</i>-(4-Cyanobenzyl)benzamide
• Formula: C15 H12 N2 O
• Calculated formula: C15 H12 N2 O
• SMILES: O=C(NCc1ccc(C#N)cc1)c1ccccc1
• Title of publication: <i>N</i>-(4-Cyanobenzyl)benzamide
• Authors of publication: Tong, Yi-Li; Guo, Li-Qin; Ma, Hai-Jun; Chen, Wei; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2271
• a: 5.864 ± 0.001 Å
• b: 27.164 ± 0.005 Å
• c: 7.839 ± 0.002 Å
• α: 90°
• β: 91.09 ± 0.03°
• γ: 90°
• Cell volume: 1248.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1115
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes