Information card for entry 2221008

Structure parameters

• Chemical name: <i>N</i>-Phenylnicotinamide
• Formula: C12 H10 N2 O
• Calculated formula: C12 H10 N2 O
• SMILES: O=C(Nc1ccccc1)c1cccnc1
• Title of publication: <i>N</i>-Phenylnicotinamide
• Authors of publication: Roopan, S. Mohana; Hathwar, Venkatesha R.; Kumar, A. Sudheer; Malathi, N.; Khan, F. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o571
• a: 18.732 ± 0.004 Å
• b: 5.2766 ± 0.0011 Å
• c: 20.248 ± 0.004 Å
• α: 90°
• β: 103.746 ± 0.004°
• γ: 90°
• Cell volume: 1944 ± 0.7 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1117
• 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