Information card for entry 7215976

Structure parameters

• Common name: Succinylsulfathiazole acetone solvate
• Formula: C29 H32 N6 O11 S4
• Calculated formula: C29 H32 N6 O11 S4
• SMILES: C(=O)(CCC(=O)Nc1ccc(cc1)S(=O)(=O)N=C1NC=CS1)O.CC(=O)C
• Title of publication: Tautomeric preference in polymorphs and pseudopolymorphs of succinylsulfathiazole: fast evaporation screening and thermal studies
• Authors of publication: Bag, Partha Pratim; Kothur, Raghuram Reddy; Malla Reddy, C.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4706
• a: 8.5229 ± 0.0004 Å
• b: 14.5887 ± 0.0007 Å
• c: 15.2327 ± 0.0007 Å
• α: 64.777 ± 0.001°
• β: 78.161 ± 0.001°
• γ: 82.086 ± 0.001°
• Cell volume: 1674.27 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No