Principles of crystal packing in O-isopropyl-N-aryl-thiocarbamides: iPrOC(
S)N(H)C6H4-4-Y: Y = H, Cl, and Me
Abstract
Crystallographic analysis shows no significant influence is exerted by the nature of Y upon the molecular parameters of the central O–C(S)–N(H)
S)N(H)C6H4-4-Y, for Y = H (1), Cl (2), and Me (3); this is verified by a theoretical study. The crystal structures each feature dimeric aggregates as a result of the uniform formation of the {⋯H–N–C
S}2, thioamide, synthon. An analysis of the crystal structures shows that the substitution of the chloride atom in (2) by a