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Synthesis, characterization, structural elucidation and Hirshfeld surface analysis of ( E )-3-(3-methylthiophen-2-yl)-1-(pyrazin-2-yl)prop-2-en-1-one

Authors :
Channapillekoppal Siddegowda Ananda Kumar
Liew Suk Ming
Neratur Krishnappagowda Lokanath
Joazaizulfazli Jamalis
Naveen Shivalingegowda
Source :
Chemical Data Collections. :58-67
Publication Year :
2017
Publisher :
Elsevier BV, 2017.

Abstract

The title compound (E)-3-(3-methylthiophen-2-yl)-1-(pyrazin-2-yl)prop-2-en-1-one was synthesized and the product obtained was characterized by spectroscopic techniques and finally the structure was confirmed by X-ray diffraction technique. The compound crystallizes in the monoclinic crystal system with the space group P21/c with the unsaturated keto group in a -syn-iperiplanar conformation with respect to the olefinic double bond. Hirshfeld surface analysis for visually analyzing intermolecular interactions in crystal structures employing molecular surface contours and 2D fingerprint plots have been used to examine molecular shapes.

Details

ISSN :
24058300
Database :
OpenAIRE
Journal :
Chemical Data Collections
Accession number :
edsair.doi...........0c144caeb21ce0e4f5b2a70f484b6fd1
Full Text :
https://doi.org/10.1016/j.cdc.2017.01.004