Information card for entry 7249752

Structure parameters

• Formula: C23 H17 Cl2 F3 N6 O2
• Calculated formula: C23 H17 Cl2 F3 N6 O2
• Title of publication: Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability
• Authors of publication: Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 820 - 832
• a: 9.2015 ± 0.0009 Å
• b: 11.6771 ± 0.0007 Å
• c: 14.8897 ± 0.001 Å
• α: 73.59 ± 0.006°
• β: 76.902 ± 0.007°
• γ: 88.509 ± 0.006°
• Cell volume: 1493.5 ± 0.2 ų
• Cell temperature: 149.9 ± 0.2 K
• Ambient diffraction temperature: 149.9 ± 0.2 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: 0.0878
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1978
• Weighted residual factors for all reflections included in the refinement: 0.2132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0409
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No