Projects per year
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.
Original language | English |
---|---|
Pages (from-to) | O569-U1282 |
Number of pages | 12 |
Journal | Acta Crystallographica Section E: Structure Reports |
Volume | 67 |
DOIs | |
Publication status | Published - Mar 2011 |
Keywords
- 3-methylbenzoic acid
- hydrogen bonds
- methyl groups
- crystal structures
Fingerprint
Dive into the research topics of 'Redetermination of 3-methylbenzoic acid'. Together they form a unique fingerprint.Projects
- 1 Finished
-
Physical Organic Chemistry: Opportunities In Synthesis, Materials And Pharmaceuticals (Science And Innovation Award)
Murphy, J. (Principal Investigator), Coombs, G. (Co-investigator), Ferguson, A. (Co-investigator) & Florence, A. (Co-investigator)
Scottish Funding Council SFC, EPSRC (Engineering and Physical Sciences Research Council)
1/09/07 → 30/10/12
Project: Research