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 1600-5368
Full text not available in this repository. (Request a copy from the Strathclyde author)Abstract
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 [110] and an infinite zigzag chain of dimers along the [001] direction also occurs.
| Item type: | Article |
|---|---|
| ID code: | 33737 |
| Keywords: | 3-methylbenzoic acid , hydrogen bonds , methyl groups , crystal structures, Chemistry |
| Subjects: | Science > Chemistry |
| Department: | Faculty of Science > Pure and Applied Chemistry |
| Related URLs: | |
| Depositing user: | Pure Administrator |
| Date Deposited: | 18 Oct 2011 14:54 |
| Last modified: | 12 Mar 2012 11:34 |
| URI: | http://strathprints.strath.ac.uk/id/eprint/33737 |
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