Information card for entry 2017925

Structure parameters

• Common name: nitrofurantoin dimethylacetamide monosolvate
• Chemical name: (<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dion dimethylacetamide monosolvate
• Formula: C12 H15 N5 O6
• Calculated formula: C12 H15 N5 O6
• Title of publication: Five pseudopolymorphs and a cocrystal of nitrofurantoin
• Authors of publication: Tutughamiarso, Maya; Bolte, Michael; Wagner, Guido; Egert, Ernst
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o18 - o25
• a: 16.2038 ± 0.0016 Å
• b: 7.4215 ± 0.0005 Å
• c: 13.1195 ± 0.0012 Å
• α: 90°
• β: 111.681 ± 0.007°
• γ: 90°
• Cell volume: 1466.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0989
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes