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3,3-Bis(2-hydroxyethyl)-1-(4-methylbenzoyl)thiourea: crystal structure, Hirshfeld surface analysis and computational study

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The title tri-substituted thiourea derivative is twisted with a dihedral angle of 72.12 (9)° between the planes through the CN2S atoms and the 4-tolyl ring; an intramolecular N–H⋯O hydrogen bond leads… Click to show full abstract

The title tri-substituted thiourea derivative is twisted with a dihedral angle of 72.12 (9)° between the planes through the CN2S atoms and the 4-tolyl ring; an intramolecular N–H⋯O hydrogen bond leads to an S(7) loop. In the crystal. hydroxyl-O—H⋯O(hydroxyl) and hydroxyl-O—H⋯S(thione) hydrogen bonds give rise to a supramolecular layer in the ab plane.

Keywords: crystal; bis hydroxyethyl; hydroxyethyl methylbenzoyl; thiourea crystal; crystal structure; methylbenzoyl thiourea

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2019

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