Information card for entry 2202901

Structure parameters

• Chemical name: acetamide
• Formula: C2 H5 N O
• Calculated formula: C2 H5 N O
• SMILES: O=C(N)C
• Title of publication: A new refinement of the orthorhombic polymorph of acetamide
• Authors of publication: Bats, Jan W.; Haberecht, Monika C.; Wagner, Matthias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1483 - o1485
• a: 19.021 ± 0.004 Å
• b: 7.5084 ± 0.0014 Å
• c: 9.4038 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1343 ± 0.4 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes