학술논문
Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1E)-1-[(carbamothioylamino)-imino]ethyl}phenyl propanoate.
Document Type
Article
Author
Source
Subject
*CRYSTAL structure
*SURFACE structure
*CARBONYL group
*PROPIONATES
*SURFACE analysis
*HYDROGEN bonding
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Language
ISSN
2056-9890
Abstract
The title compound, C12H15N3O2S, adopts an E configuration with respect to the C=N bond. The propionate group adopts an antiperiplanar (ap) conformation. There are short intramolecular N--H...N and C--H...O contacts, forming S(5) and S(6) ring motifs, respectively. In the crystal, molecules are connected into ribbons extending parallel to [010] by pairs of N--H...S interactions, forming rings with R2²(8) graph-set motifs, and by pairs of C--H...S interactions, where rings with the graph-set motif R2¹(7) are observed. The O atom of the carbonyl group is disordered over two positions, with a refined occupancy ratio of 0.27 (2):0.73 (2). The studied crystal consisted of two domains. [ABSTRACT FROM AUTHOR]