Information card for entry 2016637

Structure parameters

• Chemical name: 4-nitrophenol‒acetamide (1:1)
• Formula: C8 H10 N2 O4
• Calculated formula: C8 H10 N2 O4
• SMILES: c1(ccc(cc1)N(=O)=O)O.C(=O)(C)N
• Title of publication: Hydrogen-bond patterns in the congruent complex 4-nitrophenol‒acetamide (1/1)
• Authors of publication: Loureiro, Rui M. S.; Johnstone, Robert A. W.; Labat, Gaël
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o306 - o308
• a: 20.37 ± 0.003 Å
• b: 3.7506 ± 0.0006 Å
• c: 24.07 ± 0.003 Å
• α: 90°
• β: 94.873 ± 0.003°
• γ: 90°
• Cell volume: 1832.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0825
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes