Synthesis, structural exploration and Hirshfeld surface analysis of a novel bioactive heterocycle: (4-(6-Fluorobenzodisoxazol-3-yl) piperidin-1-yl)(morpholino)methanone

Benaka Prasad, S. B. and Ananda Kumar, C. S. and Raghu, A. V. and Reddy, K. Raghava and Urs, M. V. Deepa and Naveen, S. (2018) Synthesis, structural exploration and Hirshfeld surface analysis of a novel bioactive heterocycle: (4-(6-Fluorobenzodisoxazol-3-yl) piperidin-1-yl)(morpholino)methanone. Chemical Data Collections, 15-16. 1 - 9.

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Official URL: https://doi.org/10.1016/j.cdc.2018.03.001

Abstract

The title compound, (4-(6-fluorobenzodisoxazol-3-yl) piperidin-1-yl)(morpholino)methanone was prepared from 3-(piperidin-4-yl)benzodisoxazole and evaluated for antiproliferative activity and structure was characterized using IR, 1H NMR, LC-MS spectra and finally the structure was confirmed by X-ray diffraction studies. The compound crystallizes in the monoclinic crystal system with the space group P21/c. The piperidine ring and the morpholine ring in the title compound adopt a chair conformation with the benzisoxazole ring in the planar conformation within the experimental limits. The molecular structure is stabilized by both inter and intra-molecular hydrogen bonds of the type C—H…O and C—H…N respectively which can account for the stability of the molecule. Further, Hirshfeld surface analysis employing 3D molecular surface contours and 2D fingerprint plots have been used to analyze intermolecular interactions present in the solid state of the crystal.

Item Type: Article
Uncontrolled Keywords: Piperidine, Morpholine, Anti-proliferative, Intermolecular interactions, Hirshfeld surface, Electrostatic potential
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Material Science
Depositing User: lpa manjunath user
Date Deposited: 16 Oct 2019 11:38
Last Modified: 11 Dec 2019 10:13
URI: http://eprints.uni-mysore.ac.in/id/eprint/9232

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