2-(Isopropylthio)benzoic acid

Acta Crystallogr C. 1999 Jul 15:55 ( Pt 7):1190-2. doi: 10.1107/s0108270199005582.

Abstract

The title acid, C10H12O2S, crystallized in the centrosymmetric space group P2(1)/c with one molecule in the asymmetric unit. There is a single hydrogen bond, in which the O and H atoms are ordered and OD...OA is 2.658(2) A. The hydrogen bond forms a cyclic dimer, with graph-set descriptor R2(2)(8), about a center of symmetry. The dihedral angle between the best-fit planes of the benzene ring and the carboxyl group is 13.6(1) degrees.

Publication types

  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Benzoates / chemistry*
  • Chemical Phenomena
  • Chemistry, Physical
  • Crystallization
  • Crystallography, X-Ray
  • Dimerization
  • Hydrogen Bonding
  • Molecular Structure

Substances

  • 2-(isopropylthio)benzoic acid
  • Benzoates