Crystal structure of 3-(2,5-di-meth-oxy-phen-yl)propionic acid.

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, United Arab Emirates University, AL Ain, Abu Dhabi, United Arab Emirates.

Published: May 2015

In the crystal of the title compound, C11H14O4, the aromatic ring is almost coplanar with the 2-position meth-oxy group with which it subtends a dihedral of 0.54 (2)°, while the 5-position meth-oxy group makes a corresponding dihedral angle of just 5.30 (2)°. The angle between the mean planes of the aromatic ring and the propionic acid group is 78.56 (2)°. The fully extended propionic side chain is in a trans configuration with a C-C-C-C torsion angle of -172.25 (7)°. In the crystal, hydrogen bonding is limited to dimer formation via R 2 (2)(8) rings. The hydrogen-bonded dimers are stacked along the b axis. The average planes of the two benzene rings in a dimer are parallel to each other, but at an offset of 4.31 (2) Å. Within neighbouring dimers along the [101] direction, the average mol-ecular benzene planes are almost perpendicular to each other, with a dihedral angle of 85.33 (2)°.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420092PMC
http://dx.doi.org/10.1107/S2056989015007641DOI Listing

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