Information card for entry 1520353

Structure parameters

• Chemical name: N-(2-tert-butylphenyl)acetamide
• Formula: C12 H17 N O
• Calculated formula: C12 H17 N O
• SMILES: c1(c(cccc1)C(C)(C)C)NC(=O)C
• Title of publication: N-(2-tert-butylphenyl)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: 1369
• a: 16.2982 ± 0.0006 Å
• b: 16.2982 ± 0.0006 Å
• c: 17.0833 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4537.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No