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Your search keyword '"Sabino, José R."' showing total 1 results
Start Over Author "Sabino, José R." Topic conformational analysis Topic hydrogen bonding
1 results on '"Sabino, José R."'

1. 1-[1-(2-Hydroxyethyl)-6-methyl-2-phenyl-4-thioxo-1,4-dihydropyrimidin-5-yl]-1-ethanone.

Author

Sabino, José R., Lariucci, Carlito, Bastos, Rodrigo M., and Cunha, Silvio

Subjects
*KETONES, *ORGANONITROGEN compounds, *MOLECULAR structure, *CRYSTALLOGRAPHY, *HYDROGEN bonding, *CONFORMATIONAL analysis
Abstract

The title compound, C15H16N2O2S, is of interest with respect to antibacterial and anticancer activity and shows some trypanocidal activity. The crystal structure displays O—H...N hydrogen bonding, forming a chain along [001]. A weak non-classical hydrogen bond of type C—H...S connects molecules across an inversion centre. The packing is also mediated by an intermolecular C=O...π ring interaction connecting centrosymmetrically related molecules. Steric effects are responsible for the molecular conformation. [ABSTRACT FROM AUTHOR]

Published
2007
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