Information card for entry 2229464

Structure parameters

• Common name: Nitrofurantoin methanol monosolvate
• Chemical name: (<i>E</i>)-1-[(5-nitro-2-furyl)methylideneamino]imidazolidine-2,4-dione methanol monosolvate
• Formula: C9 H10 N4 O6
• Calculated formula: C9 H10 N4 O6
• SMILES: OC.O=N(=O)c1ccc(/C=N/N2CC(=O)NC2=O)o1
• Title of publication: Nitrofurantoin methanol monosolvate
• Authors of publication: Vangala, Venu R.; Chow, Pui Shan; Tan, Reginald B. H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o550 - o551
• a: 6.4084 ± 0.0013 Å
• b: 6.5941 ± 0.0013 Å
• c: 26.705 ± 0.005 Å
• α: 90°
• β: 91.7 ± 0.03°
• γ: 90°
• Cell volume: 1128 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes