Thermal vibrations in potassium 3-benzoyl-2-thiophenecarboxylate.
The atomic thermal displacement parameters at 293 K for the anion in the title salt have been analyzed in terms of a body having two rigid segments, namely the benzoyl and the 2-thiophenecarboxylate groups. These segments are each nearly planar and have a dihedral angle of 80.1 degrees between them. The internal torsional libration of the anion is physically correlated with its overall external translational and librational motion. Bond distances involving the heavier atoms have an s.u. sigma from 0.002 to 0.003 Å while librational corrections in these distances range up to 4sigma. A short nonbonded intersegment C.O distance of 2.817 (2) Å becomes 2.831 Å after correction, the correction being 7sigma. An intermolecular S.O distance of 3.1891 (14) Å becomes 3.215 Å after correction for independent vibration of the two molecules, the correction being 18sigma.
Craven
BM
Chemistry Department, Indiana University of Pennsylvania, Indiana, PA 15705, USA. craven@grove.iup.edu
Ballas
FL