Information card for entry 4318476

Structure parameters

• Common name: CH3(CH2)3C(O)NH2
• Formula: C5 H11 N O
• Calculated formula: C5 H11 N O
• SMILES: O=C(N)CCCC
• Title of publication: Zinc(II)/Ketoxime System as a Simple and Efficient Catalyst for Hydrolysis of Organonitriles
• Authors of publication: Maximilian N. Kopylovich; Vadim Yu. Kukushkin; Matti Haukka; João J. R. Fraústo da Silva; Armando J. L. Pombeiro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4798 - 4804
• a: 11.0625 ± 0.0006 Å
• b: 5.8294 ± 0.0003 Å
• c: 9.7921 ± 0.0004 Å
• α: 90°
• β: 103.513 ± 0.002°
• γ: 90°
• Cell volume: 613.99 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0504
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No