Synthesis, crystal structure and Hirshfeld surface analysis of 4-{(1)-1-[(car-bamo-thioyl-amino)-imino]-eth-yl}phenyl propano-ate.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, Asthagiri Herbal Research Foundation, Perungudi Industrial Estate, Chennai 600 096, Tamilnadu, India.

Published: April 2024

The title compound, CHNOS, adopts an configuration with respect to the C=N bond. The propionate group adopts an anti-periplanar () conformation. There are short intra-molecular N-H⋯N and C-H⋯O contacts, forming (5) and (6) ring motifs, respectively. In the crystal, mol-ecules are connected into ribbons extending parallel to [010] by pairs of N-H⋯S inter-actions, forming rings with (8) graph-set motifs, and by pairs of C-H⋯S inter-actions, where rings with the graph-set motif (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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11074566PMC
http://dx.doi.org/10.1107/S2056989024003177DOI Listing

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The title compound, CHNOS, adopts an configuration with respect to the C=N bond. The propionate group adopts an anti-periplanar () conformation. There are short intra-molecular N-H⋯N and C-H⋯O contacts, forming (5) and (6) ring motifs, respectively.

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