Information card for entry 7251808

Structure parameters

• Chemical name: Pregbalin-Vanillic Acid Cocrystal
• Formula: C24 H42 N2 O8
• Calculated formula: C24 H42 N2 O8
• Title of publication: Synthesis, Characterization and structure-activity relationship of a novel pregabalin cocrystals with sustained-release performance
• Authors of publication: Ren, Jiaxuan; Wu, Di; Feng, Yaoguang; Zhang, Man; Yuan, Jiahui; Wang, Na; Wang, Ting; Huang, Xin; Hao, Hongxun
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 6.90572 ± 0.00012 Å
• b: 7.69426 ± 0.00016 Å
• c: 12.1634 ± 0.0002 Å
• α: 86.3588 ± 0.0016°
• β: 88.5344 ± 0.0015°
• γ: 88.8594 ± 0.0016°
• Cell volume: 644.67 ± 0.02 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No