Information card for entry 7251390

Structure parameters

• Formula: C17 H18 Cl N3 O6 S
• Calculated formula: C17 H18 Cl N3 O6 S
• Title of publication: Exploring Desolvation-Driven Polymorph Formation via Multicomponent Crystals of Furosemide
• Authors of publication: Nomnganga, Yamkela; Oluwole, David O.; Venter, Gerhard A.; Benyei, Attila; Bathori, Nikoletta B.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• a: 5.2827 ± 0.0011 Å
• b: 11.54 ± 0.002 Å
• c: 16.446 ± 0.003 Å
• α: 69.81 ± 0.03°
• β: 85.87 ± 0.03°
• γ: 79.15 ± 0.03°
• Cell volume: 924.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No