A 1:1 cocrystal of 4-oxo-4-(pyridin-2-ylamino)butanoic acid (APS) and benzoic acid (BA), APS-BA (1:1), was prepared and characterized by Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA), Infrared (FT-IR), powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SCXRD) studies. Crystal structure reveals that APS-BA (1:1) is formed by joint N-H…O and O-H…N hydrogen bonding between APS and BA molecule resulting in a hetero-dimeric R²₂(8) motif. A pair of C-H…O interactions and another pair of O-H…O hydrogen bonds between APS molecules ensures formation of a one-dimensional zig-zag hydrogen bonded tape of APS molecules, with the BA molecules occupying pendant position. Hirshfeld surface analysis including energy framework and lattice energy calculations were performed and compared with those of the components APS and BA. Comparison of the computed energetics of individual interactions and the lattice energies showed that cocrystal formation is thermodynamically favoured.

制备了 4-氧代-4-(吡啶-2-基氨基)丁酸 (APS) 和苯甲酸 (BA) 的 1:1 共晶体 APS-BA (1:1)，并通过差示扫描量热法 (DSC) 进行表征) 和热重分析 (TGA)、红外 (FT-IR)、粉末 X 射线衍射 (PXRD) 和单晶 X 射线衍射 (SCXRD) 研究。晶体结构表明，APS-BA (1:1) 由 APS 和 BA 分子之间的 NH…O 和 OH…N 氢键结合形成，形成异二聚体 R 2 2 (8)^基_序。APS 分子之间的一对 CH…O 相互作用和另一对 OH…O 氢键确保形成 APS 分子的一维之字形氢键带，其中 BA 分子占据悬垂位置。进行了 Hirshfeld 表面分析，包括能量框架和晶格能量计算，并与组件 APS 和 BA 的分析进行了比较。计算出的各个相互作用的能量学和晶格能量的比较表明，热力学上有利于共晶的形成。