Information card for entry 7208578

Structure parameters

• Common name: chlortalidone Form IV
• Chemical name: 2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl) benzenesulfonamide chloroform solvate
• Formula: C57 H45 Cl7 N8 O16 S4
• Calculated formula: C57 H45 Cl7 N8 O16 S4
• Title of publication: Form III-like conformation and Form I-like packing in a chloroform channel solvate of the diuretic drug chlortalidone
• Authors of publication: Martins, Felipe T.; de abreu, Polyana J.; Azarias, Lilian C.; Villis, Paulo C. M.; de Campos Melo, Ariane C.; Ellena, Javier; Doriguetto, Antônio C.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 6173
• a: 7.763 ± 0.002 Å
• b: 12.938 ± 0.005 Å
• c: 17.221 ± 0.007 Å
• α: 72.48 ± 0.02°
• β: 87.107 ± 0.016°
• γ: 86.201 ± 0.017°
• Cell volume: 1644.9 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1793
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No