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

• Main Authors: Shivalingegowda, N., Ming, L. S., Jamalis, J., Kumar, C. S. A., Lokanath, N. K.
• Format: Article
• Published: Elsevier B.V. 2017
• Subjects: QD Chemistry
• Online Access: http://eprints.utm.my/id/eprint/75481/; https://www.scopus.com/inward/record.uri?eid=2-s2.0-85013345387&doi=10.1016%2fj.cdc.2017.01.004&partnerID=40&md5=b3efefb846a1dce4e5d2ce15f9db90a0

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.