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  4. Synthesis and characterization of a new class of phenothiazine molecules with 10H-substituted morpholine & piperidine derivatives: A structural insight
 
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Synthesis and characterization of a new class of phenothiazine molecules with 10H-substituted morpholine & piperidine derivatives: A structural insight

Source
Journal of Molecular Structure
ISSN
00222860
Date Issued
2020-11-05
Author(s)
Hussain, Javeena
Angira, Deekshi
Hans, Tanya
Dubey, Pankaj
Kirubakaran, Sivapriya  
Thiruvenkatam, Vijay  
DOI
10.1016/j.molstruc.2020.128546
Volume
1219
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.
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URI
https://d8.irins.org/handle/IITG2025/23918
Subjects
2D fingerprint plot | Crystal packing | DFT | Hirshfeld | HOMO-LUMO | Phenothiazine
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