Information card for entry 2017926

Structure parameters

• Common name: nitrofurantoin dimethylacetamide disolvat
• Chemical name: (<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione dimethylacetamide disolvat
• Formula: C16 H24 N6 O7
• Calculated formula: C16 H24 N6 O7
• 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: 20.874 ± 0.002 Å
• b: 11.5433 ± 0.0009 Å
• c: 8.7162 ± 0.0009 Å
• α: 90°
• β: 100.708 ± 0.009°
• γ: 90°
• Cell volume: 2063.6 ± 0.3 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: 0.0606
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes