Information card for entry 7251388

Structure parameters

• Formula: C19 H22 Cl N3 O6 S
• Calculated formula: C19 H22 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: 5.0757 ± 0.0003 Å
• b: 19.3352 ± 0.0011 Å
• c: 20.7883 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2040.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No