Information card for entry 7249734

Structure parameters

• Common name: Flu.D-BSA(2:2)
• Formula: C13 H11 F3 N2 O5 S
• Calculated formula: C13 H11 F3 N2 O5 S
• Title of publication: Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity
• Authors of publication: Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 997 - 1015
• a: 27.3846 ± 0.0004 Å
• b: 7.4463 ± 0.0008 Å
• c: 14.8172 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3021.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No