Moreno-Fuquen, Rodolfo and De Almeida Santos, Regina and Kennedy, Alan R. (2011) Redetermination of 3-methylbenzoic acid. Acta Crystallographica Section E: Structure Reports, 67. O569-U1282. ISSN 1600-5368Full text not available in this repository. (Request a copy from the Strathclyde author)
The asymmetric unit of the title compound, C8H8O2, contains two crystallographically independent molecules, which form dimers linked by O center dot center dot center dot H-O hydrogen bonds. The benzene rings in the dimers are inclined at a dihedral angle of 7.30 (8)degrees and both methyl groups display rotational disorder. This redetermination results in a crystal structure with significantly higher precision than the original determination [Ellas & Garcia-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 center dot center dot center dot O interactions, forming R-2(2)(10) and R-4(4)(18) rings along  and an infinite zigzag chain of dimers along the  direction also occurs.
|Keywords:||3-methylbenzoic acid , hydrogen bonds , methyl groups , crystal structures, Chemistry, Materials Science(all), Chemistry(all), Condensed Matter Physics|
|Subjects:||Science > Chemistry|
|Department:||Faculty of Science > Pure and Applied Chemistry|
|Depositing user:||Pure Administrator|
|Date Deposited:||18 Oct 2011 13:54|
|Last modified:||06 Jan 2017 10:00|