Information card for entry 7240482

Structure parameters

• Common name: Sulfathiazole amantadine salt
• Chemical name: 4-Amino-N-(1,3-thiazol-2(3H)-ylidene)benzenesulfonamide 1-Adamantylammonium salt
• Formula: C19 H26 N4 O2 S2
• Calculated formula: C19 H26 N4 O2 S2
• Title of publication: A crystalline solid adduct of sulfathiazole-amantadine: The first dual-drug molecular salt containing both antiviral and antibacterial ingredients
• Authors of publication: Wang, Ling-Yang; Yu, Yueming; Yu, Ming-Chao; Li, Yan-Tuan; Wu, Zhi-Yong; Yan, Cui-Wei
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.8101 ± 0.0004 Å
• b: 17.1707 ± 0.0008 Å
• c: 13.2499 ± 0.0007 Å
• α: 90°
• β: 101.1 ± 0.002°
• γ: 90°
• Cell volume: 1966.89 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No