Information card for entry 2206265

Structure parameters

• Common name: Butyramide
• Chemical name: Butyramide
• Formula: C4 H9 N O
• Calculated formula: C4 H9 N O
• SMILES: O=C(N)CCC
• Title of publication: A low-temperature determination of butyramide
• Authors of publication: Thomas C. Lewis; Derek A. Tocher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o1985 - o1986
• a: 9.814 ± 0.003 Å
• b: 5.9232 ± 0.0017 Å
• c: 9.701 ± 0.003 Å
• α: 90°
• β: 112.07 ± 0.004°
• γ: 90°
• Cell volume: 522.6 ± 0.3 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: 0.0533
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes