Information card for entry 7238376

Structure parameters

• Formula: C16 H13 Cl2 N5 O3
• Calculated formula: C16 H13 Cl2 N5 O3
• Title of publication: Multicomponent solids of lamotrigine with some selected coformers and their characterization by thermoanalytical, spectroscopic and X-ray diffraction methods
• Authors of publication: Chadha, Renu; Saini, Anupam; Arora, Poonam; Jain, Dharamvir Singh; Dasgupta, Archi; Guru Row, T. N.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6271
• a: 15.5808 ± 0.001 Å
• b: 9.689 ± 0.0006 Å
• c: 11.1057 ± 0.0007 Å
• α: 90°
• β: 91.312 ± 0.003°
• γ: 90°
• Cell volume: 1676.1 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0494
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No