Information card for entry 7249750

Structure parameters

• Formula: C23 H17 Cl4 N6 O2
• Calculated formula: C23 H18 Cl4 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: 12.8844 ± 0.0005 Å
• b: 13.7991 ± 0.0008 Å
• c: 14.5572 ± 0.0004 Å
• α: 105.074 ± 0.004°
• β: 91.002 ± 0.003°
• γ: 99.969 ± 0.004°
• Cell volume: 2456.06 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2357
• Weighted residual factors for all reflections included in the refinement: 0.2462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No