Information card for entry 2019187

Structure parameters

• Common name: Lamotriginium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Chemical name: 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium 3,5-dinitro-2-hydroxybenzoate <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C19 H18 Cl2 N8 O8
• Calculated formula: C19 H18 Cl2 N8 O8
• 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: 10.0227 ± 0.0005 Å
• b: 10.5507 ± 0.0005 Å
• c: 12.5359 ± 0.0006 Å
• α: 81.858 ± 0.001°
• β: 71.888 ± 0.001°
• γ: 70.009 ± 0.001°
• Cell volume: 1183.1 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No