Shivalingegowda, N. and Ming, L. S. and Jamalis, J. and Kumar, C. S. A. and Lokanath, N. K. (2017) Synthesis, characterization, structural elucidation and Hirshfeld surface analysis of (E)-3-(3-methylthiophen-2-yl)-1-(pyrazin-2-yl)prop-2-en-1-one. Chemical Data Collections, 7-8 . pp. 58-67. ISSN 2405-8300
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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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | Chalcones, Hirshfeld surface, Hydrogen bond, π-conjugation |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Science |
| ID Code: | 75481 |
| Deposited By: | Widya Wahid |
| Deposited On: | 13 Mar 2018 18:09 |
| Last Modified: | 13 Mar 2018 18:09 |
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