非那酸-吖啶复合物的晶体结构和分子间相互作用。
The Crystal Structure and Intermolecular Interactions in Fenamic Acids-Acridine Complexes.
机构信息
Faculty of Pharmacy, Wrocław Medical University, Borowska 211a, 50-556 Wrocław, Poland.
出版信息
Molecules. 2021 May 16;26(10):2956. doi: 10.3390/molecules26102956.
In order to improve pharmaceutical properties of drugs, complexes are synthesized as combinations with other chemical substances. The complexes of fenamic acid and its derivatives, such as mefenamic-, tolfenamic- and flufenamic acid, with acridine were obtained and the X-ray structures were discussed. Formation of the crystals is determined by the presence of the intermolecular O-HN hydrogen bond that occur between fenamic acids and acridine. Intermolecular interactions stabilizing the crystals such as ππ stacking, C-HX (X = O, Cl) intermolecular hydrogen bonds as well as C-Hπ and other dispersive interactions were analyzed by theoretical methods: the quantum theory of atoms in molecules (QTAIM) and noncovalent interaction (NCI) approaches.
为了改善药物的药学性质，将药物与其他化学物质合成复合物。合成了非那酸及其衍生物（如甲芬那酸、托芬那酸和氟芬那酸）与吖啶的复合物，并讨论了其 X 射线结构。晶体的形成是由非那酸和吖啶之间存在的分子间 O-HN 氢键决定的。通过理论方法分析了稳定晶体的分子间相互作用，如 ππ 堆积、C-HX（X=O，Cl）分子间氢键以及 C-Hπ和其他分散相互作用。这些理论方法包括原子在分子中的量子理论（QTAIM）和非共价相互作用（NCI）方法。
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