Name: 2-(Isopropylthio)benzoic acid
Creator: Rocer E. Gerkin
Keywords: 0301 basic medicine, 0303 health sciences, 03 medical and health sciences, Chemical Phenomena, Molecular Structure, Chemistry, Physical, Hydrogen Bonding, Crystallization, Crystallography, X-Ray, Benzoates

descriptionPublicationkeyboard_double_arrow_right Article 15 Jul 1999Publisher:International Union of Crystallography (IUCr)Journal:Acta Crystallographica Section C Crystal Structure Communications, volume 55, pages 1,190-1,192 (issn: 0108-2701,

Authors: Rocer E. Gerkin;

doi: 10.1107/s0108270199005582

pmid: 10444820

2-(Isopropylthio)benzoic acid

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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.

Related Organizations

The Ohio State University
United States

Keywords

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

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CCDC 133588: Experimental Crystal Structure Determination
1999IsSupplementedBy

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