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Synthesis, crystal structure and Hirshfeld surface of ethyl 2-[2-(methyl-sulfan-yl)-5-oxo-4,4-diphenyl-4,5-di-hydro-1-imidazol-1-yl]acetate (thio-phenytoin derivative). | LitMetric

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Article Abstract

The di-hydro-imidazole ring in the title mol-ecule, CHNOS, is slightly distorted and the lone pair on the tri-coordinate nitro-gen atom is involved in intra-ring π bonding. The methyl-sulfanyl substituent lies nearly in the plane of the five-membered ring while the ester substituent is rotated well out of that plane. In the crystal, C-H⋯O hydrogen bonds form inversion dimers, which are connected along the - and axis directions by additional C-H⋯O hydrogen bonds, forming layers parallel to the plane. The major contributors to the Hirshfeld surface are C⋯H/H⋯C, O⋯H/H⋯O and S⋯H/H⋯S contacts at 20.5%, 14.7% and 4.9%, respectively.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11389683PMC
http://dx.doi.org/10.1107/S2056989024007345DOI Listing

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2-[2-methyl-sulfan-yl-5-oxo-44-diphenyl-45-di-hydro-1-imidazol-1-yl]acetate thio-phenytoin
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