Information card for entry 1549230

Structure parameters

• Common name: Triamterene, succinic acid and DMSO
• Chemical name: Triamterenium succinate, DMSO solvate
• Formula: C18 H23 N7 O5 S
• Calculated formula: C18 H23 N7 O5 S
• SMILES: [nH+]1c(N)nc(N)c2nc(c(N)nc12)c1ccccc1.C(=O)([O-])CCC(=O)O.S(=O)(C)C
• Title of publication: Structural studies of crystalline forms of triamterene with carboxylic acid, GRAS and API molecules
• Authors of publication: Rehman, Abida; Delori, Amit; Hughes, David S.; Jones, William
• Journal of publication: IUCrJ
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• a: 13.5226 ± 0.0007 Å
• b: 14.9966 ± 0.0007 Å
• c: 10.6958 ± 0.0005 Å
• α: 90°
• β: 104.179 ± 0.002°
• γ: 90°
• Cell volume: 2102.95 ± 0.18 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 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: 0.0896
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No