S. Prasad, C. Anandakumar, A. Raghu
Aug 1, 2018
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Chemical Data Collections
Abstract
Abstract The title compound, (4-(6-fluorobenzo[d]isoxazol-3-yl) piperidin-1-yl)(morpholino)methanone was prepared from 3-(piperidin-4-yl)benzo[d]isoxazole 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.