Abstract A series of 10H-substituted phenothiazine-based molecules were prepared by the base-catalyzed reactions. The synthesized compounds are characterized by Mass spectroscopy, NMR, and SCXRD to examine the role of different functional groups involved in the intermolecular interactions and conformational geometries. The crystal packing of the compounds is governed by O–H⋯O, C–H⋯O, and π–π interactions. A complete understanding of the intermolecular interactions is studied employing the Hirshfeld analysis, 2D Fingerprint plot. Furthermore, the density functional theory (DFT/B3LYP) method at the 6–311++G(d,p) basis set was performed to support and compare experimental & theoretical geometrical parameters of phenothiazine derivatives.

中文翻译：

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具有 10H 取代的吗啉和哌啶衍生物的新型吩噻嗪分子的合成和表征：结构洞察

摘要 通过碱催化反应制备了一系列10H取代吩噻嗪基分子。合成的化合物通过质谱、核磁共振和 SCXRD 进行表征，以检查不同官能团在分子间相互作用和构象几何中的作用。化合物的晶体堆积受 O-H⋯O、C-H⋯O 和 π-π 相互作用控制。使用 Hirshfeld 分析、2D 指纹图来研究对分子间相互作用的完整理解。此外，在 6–311++G(d,p) 基组下执行密度泛函理论 (DFT/B3LYP) 方法以支持和比较吩噻嗪衍生物的实验和理论几何参数。