Information card for entry 1559522

Structure parameters

• Formula: C24 H30 N8 O9 S
• Calculated formula: C24 H30 N8 O9 S
• Title of publication: Drug-Drug Binary Solids of Nitrofurantoin and Trimethoprim: Crystal Engineering and Pharmaceutical Properties.
• Authors of publication: Maity, Dilip Kumar; Paul, Rakesh Kumar; Desiraju, Gautam R.
• Journal of publication: Molecular pharmaceutics
• Year of publication: 2020
• a: 8.792 ± 0.002 Å
• b: 11.802 ± 0.003 Å
• c: 15.632 ± 0.004 Å
• α: 99.371 ± 0.007°
• β: 94.665 ± 0.007°
• γ: 110.431 ± 0.008°
• Cell volume: 1482.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No