Information card for entry 2016483

Structure parameters

• Common name: N-Phenylformamide
• Chemical name: N-Phenylformamide
• Formula: C7 H7 N O
• Calculated formula: C7 H7 N O
• SMILES: c1(ccccc1)NC=O
• Title of publication: Cocrystal of <i>cis</i>- and <i>trans</i>-<i>N</i>-phenylformamide
• Authors of publication: Omondi, Bernard; Fernandes, Manuel A.; Layh, Marcus; Levendis, Demetrius C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o137 - o138
• a: 31.177 ± 0.003 Å
• b: 6.1229 ± 0.0005 Å
• c: 14.3335 ± 0.0012 Å
• α: 90°
• β: 113.771 ± 0.002°
• γ: 90°
• Cell volume: 2504 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0628
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1099
• 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