Information card for entry 2017950

Structure parameters

• Chemical name: 2-ethylpentanamide
• Formula: C8 H17 N O
• Calculated formula: C8 H17 N O
• SMILES: CCCCC(C(=O)N)CC
• Title of publication: 1-(2-Cyclohex-2-enylpropionyl)-3-methylurea, 2-ethyl-5-methylhexanamide and 2-ethylpentanamide: three products of barbiturate decomposition
• Authors of publication: Nichol, Gary S.; Clegg, William
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o13 - o17
• a: 21.597 ± 0.005 Å
• b: 5.0469 ± 0.0012 Å
• c: 18.424 ± 0.005 Å
• α: 90°
• β: 111.529 ± 0.003°
• γ: 90°
• Cell volume: 1868.1 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.6933 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes