Information card for entry 2218417

Structure parameters

• Chemical name: <i>N</i>-Isopropylbenzamide
• Formula: C10 H13 N O
• Calculated formula: C10 H13 N O
• SMILES: O=C(NC(C)C)c1ccccc1
• Title of publication: <i>N</i>-Isopropylbenzamide
• Authors of publication: Oosten, Erik M. van; Lough, Alan J.; Vasdev, Neil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1005
• a: 5.0093 ± 0.0007 Å
• b: 10.125 ± 0.0013 Å
• c: 9.6714 ± 0.0014 Å
• α: 90°
• β: 104.133 ± 0.007°
• γ: 90°
• Cell volume: 475.68 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes