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Synthesis and characterization of a new class of phenothiazine molecules with 10H-substituted morpholine & piperidine derivatives
A structural insight
Hussain, J., Angira, D., Hans, T., Dubey, P., Kirubakaran, S., & Thiruvenkatam, V. (2020). Synthesis and characterization of a new class of phenothiazine molecules with 10H-substituted morpholine & piperidine derivatives: A structural insight. Journal of Molecular Structure, 1219, Article 128546. https://doi.org/10.1016/j.molstruc.2020.128546
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 center dot center dot center dot O, C-H center dot center dot center dot O, and pi-pi 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. (C) 2020 Elsevier B.V. All rights reserved.