Information card for entry 1548352

Structure parameters

• Formula: C20 H18 Cl N6 O7 S
• Calculated formula: C20 H18 Cl N6 O7 S
• SMILES: Clc1c(S(=O)(=O)N)cc(c(NCc2occc2)c1)C(=O)O.O=C1N(C)C(=O)N(C)c2ncn(c12)C
• Title of publication: Novel furosemide cocrystals and selection of high solubility drug forms
• Authors of publication: N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia
• Journal of publication: Journal of Pharmaceutical Sciences
• Year of publication: 2012
• Journal volume: 101
• Pages of publication: 664 - 680
• a: 7.512 ± 0.002 Å
• b: 9.462 ± 0.003 Å
• c: 17.198 ± 0.005 Å
• α: 95.387 ± 0.005°
• β: 102.271 ± 0.005°
• γ: 110.101 ± 0.005°
• Cell volume: 1103 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No