Information card for entry 2019185

Structure parameters

• Common name: Lamotriginium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Chemical name: 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 4-iodobenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C19 H19 Cl2 I N6 O3
• Calculated formula: C19 H19 Cl2 I N6 O3
• Title of publication: Solvent-mediated pseudo-quadruple hydrogen-bond motifs in three lamotrigine‒carboxylic acid complexes
• Authors of publication: Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Ravikumar, Krishnan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1164 - 1169
• a: 9.7282 ± 0.0006 Å
• b: 24.9148 ± 0.0016 Å
• c: 10.0307 ± 0.0006 Å
• α: 90°
• β: 108.618 ± 0.001°
• γ: 90°
• Cell volume: 2304 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No