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

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dc.contributor.author Hussain, Javeena
dc.contributor.author Angira, Deekshi
dc.contributor.author Hans, Tanya
dc.contributor.author Dubey, Pankaj
dc.contributor.author Kirubakaran, Sivapriya
dc.contributor.author Thiruvenkatam, Vijay
dc.date.accessioned 2020-06-11T07:19:14Z
dc.date.available 2020-06-11T07:19:14Z
dc.date.issued 2020-06
dc.identifier.citation Hussain, Javeena; Angira, Deekshi; Hans, Tanya; Dubey, Pankaj; Kirubakaran, Sivapriya and Thiruvenkatam, Vijay, “Synthesis and characterization of a new class of phenothiazine molecules with 10H-substituted morpholine & piperidine derivatives: a structural insight”, Journal of Molecular Structure, DOI: 10.1016/j.molstruc.2020.128546, vol. 1219, Jun. 2020. en_US
dc.identifier.issn 0022-2860
dc.identifier.uri http://dx.doi.org/10.1016/j.molstruc.2020.128546
dc.identifier.uri https://repository.iitgn.ac.in/handle/123456789/5462
dc.description.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 ?�? 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.
dc.description.statementofresponsibility by Javeena Hussain, Deekshi Angira, Tanya Hans, Pankaj Dubey, Sivapriya Kirubakaran and VijayThiruvenkatam
dc.language.iso en_US en_US
dc.publisher Elsevier en_US
dc.subject Phenothiazine en_US
dc.subject Crystal packing en_US
dc.subject Hirshfeld en_US
dc.subject 2D fingerprint plot en_US
dc.subject DFTHOMO-LUMO en_US
dc.title Synthesis and characterization of a new class of phenothiazine molecules with 10H-substituted morpholine & piperidine derivatives: a structural insight en_US
dc.type Article en_US
dc.relation.journal Journal of Molecular Structure


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