Information card for entry 4511177

Structure parameters

• Common name: Lamotrigine hemisuccinate dimethylsufoxide solvate
• Chemical name: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium - succinate - dimethylsolfoxide (1:0.5:1)
• Formula: C13 H16 Cl2 N5 O3 S
• Calculated formula: C13 H16 Cl2 N5 O3 S
• Title of publication: Effect of the Counterion on the Solubility of Isostructural Pharmaceutical Lamotrigine Salts
• Authors of publication: Galcera, Judit; Molins, Elies
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 327
• a: 11.189 ± 0.005 Å
• b: 10.705 ± 0.006 Å
• c: 15.981 ± 0.007 Å
• α: 90°
• β: 109.35 ± 0.04°
• γ: 90°
• Cell volume: 1806 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.094
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No