Information card for entry 1548353

Structure parameters

• Formula: C16 H16 Cl N5 O6 S
• Calculated formula: C16 H16 Cl N5 O6 S
• SMILES: S(=O)(=O)(c1cc(C(=O)[O-])c(NCc2occc2)cc1Cl)N.[nH+]1c(=O)[nH]ccc1N
• 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: 7.909 ± 0.004 Å
• b: 9.467 ± 0.005 Å
• c: 12.484 ± 0.007 Å
• α: 100.151 ± 0.008°
• β: 95.95 ± 0.008°
• γ: 97.644 ± 0.009°
• Cell volume: 904.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No