Information card for entry 4516511

Structure parameters

• Formula: C39 H34 Cl2 N7 O10 S2
• Calculated formula: C39 H34 Cl2 N7 O10 S2
• Title of publication: Furosemide Cocrystals with Pyridines: An Interesting Case of Color Cocrystal Polymorphism
• Authors of publication: Sangtani, Ekta; Sahu, Sanjay K.; Thorat, Shridhar H.; Gawade, Rupesh L.; Jha, Kunal K.; Munshi, Parthapratim; Gonnade, Rajesh G.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 5858
• a: 10.2035 ± 0.0002 Å
• b: 14.0538 ± 0.0003 Å
• c: 15.1873 ± 0.0003 Å
• α: 107.16 ± 0.001°
• β: 107.305 ± 0.001°
• γ: 91.432 ± 0.001°
• Cell volume: 1971.46 ± 0.07 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: 0.0557
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 2.563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No