2-(Isopropylthio)benzoic acid.
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.
Gerkin
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Department of Chemistry, Ohio State University, Columbus 43210, USA. gerkin@chemistry.ohio-state.edu
D001565:Benzoates / Q000737:chemistry*; D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003460:Crystallization; D018360:Crystallography, X-Ray; D019281:Dimerization; D006860:Hydrogen Bonding; D015394:Molecular Structure
C121088:2-(isopropylthio)benzoic acid; D001565:Benzoates