School of Chemical Engineering and Technology, State Key Laboratory of Chemical Engineering, Tianjin University, Tianjin 300072, People's Republic of China.
School of Chemical Engineering and Technology, State Key Laboratory of Chemical Engineering, Tianjin University, Tianjin 300072, People's Republic of China; Collaborative Innovation Center of Chemical Science and Chemical Engineering (Tianjin), Tianjin 300072, People's Republic of China.
J Pharm Sci. 2018 Nov;107(11):2823-2828. doi: 10.1016/j.xphs.2018.06.026. Epub 2018 Jul 10.
The solvate formation of sulfadiazine (SDZ) was systematically studied in the 4 selected solvents with the aids of experiment and simulation methods. The intermolecular interactions between solute and solvent molecules in different solid states were analyzed and compared through their single crystal structures, and the solution behavior of SDZ was discussed using molecular dynamics simulations. The results indicated that SDZ was easy to form solvates with the solvents having strong hydrogen bond acceptor ability, which determined the formation of hydrogen bonding synthon. Furthermore, the SDZ molecules conformation and packing were compared in various crystal structures. In addition, the desolvation processes of SDZ solvates were studied to investigate the role of solvent in different solvate structures.
磺胺嘧啶（SDZ）的溶剂化物的形成在 4 种选定的溶剂中通过实验和模拟方法进行了系统的研究。通过它们的单晶结构分析和比较不同固体状态下溶质和溶剂分子之间的分子间相互作用，并通过分子动力学模拟讨论了 SDZ 的溶液行为。结果表明，SDZ 很容易与具有强氢键接受能力的溶剂形成溶剂化物，这决定了氢键合成物的形成。此外，在各种晶体结构中比较了 SDZ 分子的构象和堆积。此外，研究了 SDZ 溶剂化物的去溶剂化过程，以研究溶剂在不同溶剂化物结构中的作用。
