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

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In the title tri-substituted thiourea molecule, a substantial twist is evident as seen in the dihedral angle of 65.92 (12)° between the planes through the CN2S residue and the 4-nitroaryl ring;… Click to show full abstract

In the title tri-substituted thiourea molecule, a substantial twist is evident as seen in the dihedral angle of 65.92 (12)° between the planes through the CN2S residue and the 4-nitroaryl ring; an intramolecular N—H⋯O hydrogen bond leading to an S(7) loop is noted. In the molecular packing, O—H⋯O and O—H⋯S hydrogen bonds lead to supramolecular layers propagating in the ab plane.

Keywords: nitrobenzoyl thiourea; bis hydroxyethyl; structure hirshfeld; thiourea crystal; crystal structure; hydroxyethyl nitrobenzoyl

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2020

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