Information card for entry 4507348

Structure parameters

• Common name: LTG-GlutaricAcid
• Formula: C27 H34 Cl4 N10 O6
• Calculated formula: C27 H32 Cl4 N10 O6
• SMILES: Clc1c(cccc1Cl)c1c(nc(N)[nH+]n1)N.Clc1c(Cl)cccc1c1n[nH+]c(N)nc1N.O=C([O-])CCCC(=O)[O-].O.OCC(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: 8.862 ± 0.0006 Å
• b: 16.8932 ± 0.0011 Å
• c: 22.8226 ± 0.0012 Å
• α: 90°
• β: 90.17 ± 0.011°
• γ: 90°
• Cell volume: 3416.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1213
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No