Information card for entry 4513418

Structure parameters

• Formula: C19 H18 N8 O4 S
• Calculated formula: C19 H18 N8 O4 S
• SMILES: Nc1nc(N)c2nc(c(nc2[nH+]1)N)c1ccccc1.S1(=O)([O-])=NC(=O)c2ccccc12.O
• Title of publication: Solubility and Dissolution Rate Enhancement of Triamterene by a Cocrystallization Method
• Authors of publication: Li, Ai-Yan; Xu, Lin-Lin; Chen, Jia-Mei; Lu, Tong-Bu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 3785
• a: 6.7826 ± 0.0007 Å
• b: 8.4877 ± 0.0009 Å
• c: 17.628 ± 0.002 Å
• α: 78.261 ± 0.01°
• β: 89.201 ± 0.01°
• γ: 86.338 ± 0.009°
• Cell volume: 991.57 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No