Information card for entry 4507347

Structure parameters

• Common name: LTG-SorbicAcid
• Formula: C30 H30 Cl4 N10 O4
• Calculated formula: C30 H30 Cl4 N10 O4
• SMILES: Clc1c(Cl)c(c2nnc(nc2N)N)ccc1.Clc1c(c2n[nH+]c(nc2N)N)cccc1Cl.O=C(O)/C=C/C=C/C.O=C([O-])/C=C/C=C/C
• Title of publication: Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms
• Authors of publication: Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 858
• a: 9.308 ± 0.002 Å
• b: 11.356 ± 0.003 Å
• c: 32.107 ± 0.008 Å
• α: 90°
• β: 96.093 ± 0.004°
• γ: 90°
• Cell volume: 3374.6 ± 1.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1324
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No