Information card for entry 4509862

Structure parameters

• Common name: furosemide N,N-dimethylformamide solvate
• Formula: C15 H18 Cl N3 O6 S
• Calculated formula: C15 H18 Cl N3 O6 S
• SMILES: Clc1cc(NCc2occc2)c(cc1S(=O)(=O)N)C(=O)O.O=CN(C)C
• Title of publication: Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?
• Authors of publication: Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 513
• a: 12.143 ± 0.0005 Å
• b: 12.405 ± 0.0004 Å
• c: 24.3562 ± 0.0011 Å
• α: 90°
• β: 99.52 ± 0.003°
• γ: 90°
• Cell volume: 3618.3 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0763
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No