Information card for entry 7249733

Structure parameters

• Common name: Flu.D-PTSA(2:2)
• Formula: C14 H13 F3 N2 O5 S
• Calculated formula: C14 H13 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: 29.2994 ± 0.0002 Å
• b: 7.4757 ± 0.0005 Å
• c: 14.7336 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3227.2 ± 0.3 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: 0.0429
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No