Information card for entry 2242436

Structure parameters

• Common name: lamotrigine ethanolate
• Formula: C11 H13 Cl2 N5 O
• Calculated formula: C11 H13 Cl2 N5 O
• Title of publication: Lamotrigine ethanol monosolvate
• Authors of publication: Hall, Charlie L.; Potticary, Jason; Sparkes, Hazel A.; Pridmore, Natalie E.; Hall, Simon R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 678 - 681
• a: 21.2458 ± 0.0015 Å
• b: 10.232 ± 0.0008 Å
• c: 14.8428 ± 0.0011 Å
• α: 90°
• β: 118.808 ± 0.004°
• γ: 90°
• Cell volume: 2827.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2318
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.411
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes