Redetermination of 3-methylbenzoic acid

Abstract

The asymmetric unit of the title compound, C8H8O2, contains two crystallographically independent mol­ecules, which form dimers linked by O⋯H—O hydrogen bonds. The benzene rings in the dimers are inclined at a dihedral angle of 7.30 (8)° and both methyl groups display rotational disorder. This redetermination results in a crystal structure with significantly higher precision than the original determination [Ellas & García-Blanco (1963 ▶). Acta Cryst. 16, 434], in which the authors reported only the unit-cell parameters and space group, without any detailed information on the atomic arrangement. In the crystal, dimers are connected by weak C—H⋯O inter­actions, forming R 2 2(10) and R 4 4(18) rings along [110] and an infinite zigzag chain of dimers along the [001] direction also occurs.

New supramolecular cocrystal of 2-amino-5-chloropyridine with 3-methylbenzoic acids: Syntheses, structural characterization, Hirshfeld surfaces and quantum chemical investigations

“…In addition, methylbenzoic acid is used as an intermediate for polymer stabilizers, pesticides, and light sensitive compounds. The crystal structure of 3-methylbenzoic acid (3MBA) [34] has been reported. In this research paper, preparation, structural and characterization of cocrystal compound were reported by using PXRD, FTIR, 1 H NMR and 13 C NMR spectroscopes.…”