Synthesis, crystal structure, spectroscopic features and Hirshfeld surfaces of 2-methyl-3-[(2-methyl-phen-yl)carbamo-yl]phenyl acetate

Acta Crystallogr E Crystallogr Commun. 2019 Mar 5;75(Pt 4):423-427. doi: 10.1107/S2056989019000021. eCollection 2019 Apr 1.

Abstract

The title compound, C17H17NO3, was synthesized, characterized by IR spectroscopy and its crystal structure was determined from single-crystal diffraction data. The asymmetric unit contains two mol-ecules, which adopt different conformations. In one mol-ecule, the acet-oxy and the terminal 2-methyl-phenyl groups are positioned on opposite sides of the plane formed by the central benzene ring, whereas in the other mol-ecule they lie on the same side of this plane. In the crystal, the mol-ecules are linked through strong N-H⋯O hydrogen bonds into chains along [010]. Hirshfeld surface analysis and fingerprint plots were used to investigate the inter-molecular inter-actions in the solid state.

Keywords: Hirshfeld surface; X-ray diffraction; amide; crystal structure; hydrogen bonding.