Information card for entry 2011418

Structure parameters

• Common name: N-(2-hydroxy-1,1-dimethylethyl)benzamide
• Chemical name: N-(2-hydroxy-1,1-dimethylethyl)benzamide
• Formula: C11 H15 N O2
• Calculated formula: C11 H15 N O2
• SMILES: O=C(NC(CO)(C)C)c1ccccc1
• Title of publication: Hydrogen bonds and C—H···O interactions in <i>N</i>-(2-hydroxy-1,1-dimethylethyl)benzamide at 150K
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1218 - 1219
• a: 10.4286 ± 0.0002 Å
• b: 9.1195 ± 0.0002 Å
• c: 11.3748 ± 0.0002 Å
• α: 90°
• β: 112.299 ± 0.0011°
• γ: 90°
• Cell volume: 1000.88 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes