Crystal structures of methyl 3,5-di-methyl-benzoate, 3,5-bis-(bromo-meth-yl)phenyl acetate and 5-hy-droxy-benzene-1,3-dicarbaldehyde

Abstract

The crystal structures of the title compounds, methyl 3,5-di-methyl-benzoate (C₁₀H₁₂O₂; 1), 3,5-bis-(bromo-meth-yl)phenyl acetate (C₁₀H₁₀Br₂O₂; 2) and 5-hy-droxy-benzene-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 mol-ecules, which are further arranged into layers. As a result of the presence of two bromo-methyl substituents in compound 2, mol-ecular dimers formed by crystallographically non-equivalent mol-ecules 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 mol-ecular association in the crystal creates a close three-dimensional network comprising C_ar-yl-H⋯O_hy-droxy, C_form-yl-H⋯O_form-yl and O-H⋯O_form-yl bonds.

Keywords: 1,3,5-tris­ubstituted benzene derivatives; C–H⋯π and π–π inter­actions; crystal structures; hydrogen bonding.