Information card for entry 1520403

Structure parameters

• Chemical name: N-(4-cyanophenyl)acetamide
• Formula: C9 H8 N2 O
• Calculated formula: C9 H8 N2 O
• SMILES: O=C(Nc1ccc(C#N)cc1)C
• Title of publication: N-(4-cyanophenyl)acetamide
• Authors of publication: Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1401
• a: 3.8456 ± 0.001 Å
• b: 22.19 ± 0.005 Å
• c: 9.448 ± 0.002 Å
• α: 90°
• β: 90.048 ± 0.015°
• γ: 90°
• Cell volume: 806.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1246
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No