Information card for entry 2227704

Structure parameters

• Common name: Lamotriginium dihydrogen phosphate‒4-(dimethylamino)benzaldehyde (1/1)
• Chemical name: 3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium dihydrogen phosphate‒4-(dimethylamino)benzaldehyde (1/1)
• Formula: C18 H21 Cl2 N6 O5 P
• Calculated formula: C18 H21 Cl2 N6 O5 P
• SMILES: c1(c(c(ccc1)Cl)Cl)c1c(nc([nH+]n1)N)N.c1(ccc(cc1)N(C)C)C=O.P(=O)(O)(O)[O-]
• Title of publication: Lamotriginium dihydrogen phosphate‒4-(dimethylamino)benzaldehyde (1/1)
• Authors of publication: Razzaq, Syed Naeem; Khan, Islam Ullah; Şahin, Onur; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2558
• a: 8.1586 ± 0.0004 Å
• b: 10.5206 ± 0.0006 Å
• c: 13.6359 ± 0.0007 Å
• α: 98.665 ± 0.003°
• β: 98.131 ± 0.004°
• γ: 99.746 ± 0.003°
• Cell volume: 1123.49 ± 0.1 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1999
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes