Information card for entry 2237834

Structure parameters

• Chemical name: (<i>R</i>)-2-Cyano-<i>N</i>-(1-phenylethyl)acetamide
• Formula: C11 H12 N2 O
• Calculated formula: C11 H12 N2 O
• SMILES: C[C@H](c1ccccc1)NC(=O)CC#N
• Title of publication: (<i>R</i>)-2-Cyano-<i>N</i>-(1-phenylethyl)acetamide
• Authors of publication: Kumar, Mohan; Madhukar, B. S.; Sridhar, M. A.; Bhadregowda, D. G.; Kapoor, Kamini; Gupta, Vivek K.; Kant, Rajni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o653
• a: 4.7573 ± 0.0001 Å
• b: 11.1432 ± 0.0003 Å
• c: 19.3311 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1024.77 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes