Crystal structures of methyl 3,5-dimethylbenzoate, 3,5-bis(bromomethyl)phenyl acetate and 5-hydroxybenzene-1,3-dicarbaldehyde

Abstract

The crystal structures of the title compounds, methyl 3,5-dimethylbenzoate (C10H12O2; 1), 3,5-bis(bromomethyl)phenyl acetate (C10H10Br2O2; 2) and 5-hydroxybenzene-1,3-dicarbaldehyde (C8H6O3; 3) were determined by single-crystal X-ray analysis. The crystals of 1 are composed of strands of C—H...O=C bonded molecules, which are further arranged into layers. As a result of the presence of two bromomethyl substituents in compound 2, molecular dimers formed by crystallographically non-equivalent molecules are connected to structurally different two-dimensional aggregates in which the bromine atoms participate in Br...Br bonds of type I and type II. In the case of compound 3, which possesses three donor/acceptor substituents, the molecular association in the crystal creates a close three-dimensional network comprising Caryl—H...Ohydroxy, Cformyl—H...Oformyl and O—H...Oformyl bonds.

Keywords

• crystal structures
• 1,3,5-trisubstituted benzene derivatives
• hydrogen bonding
• c–h...π and π–π interactions