2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid.
In the title acids, C(15)H(14)O(4)S, (I), and C(16)H(16)O(4)S, (II), respectively, the angle between the planes of the benzene ring and the carboxyl group is 13.7 (1) degrees for (I) and 21.3 (1) degrees for (II). The molecular structures are stabilized by intramolecular C-H.O hydrogen bonds. The crystal packing is stabilized by a single O-H.O hydrogen bond in both compounds, in which the O and H atoms are ordered; H.O 1.87 A for (I) and 1.83 A for (II), O.O 2.680 (2) A for (I) and 2.652 (3) A for (II), and O-H.O 172 degrees for (I) and 175 degrees for (II). The hydrogen bond forms a cyclic dimer, with graph-set descriptor R(2)(2)(8), about a centre of symmetry.
Sethu Sankar
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Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Velmurugan
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Thirumamagal
B T S
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Shanmuga Sundara Raj
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Fun
H-K
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Moon
Jib-Kim
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D001565:Benzoates / Q000138:chemical synthesis / Q000737:chemistry*; D018360:Crystallography, X-Ray / Q000379:methods; D008958:Models, Molecular; D008968:Molecular Conformation; D013450:Sulfones / Q000138:chemical synthesis / Q000737:chemistry*
C460377:2-(1-(phenylsulfonyl)ethyl)benzoic acid; C460378:2-(1-(phenylsulfonyl)propyl)benzoic acid; D001565:Benzoates; D013450:Sulfones