Acta Crystallographica Section C

Crystal Structure Communications

Volume 58, Part 5 (May 2002)

Acta Cryst. (2002). C58, o257-o259 [doi:10.1107/S0108270102004389]

2-[1-(Phenylsulfonyl)ethyl]benzoic acid and 2-[1-(phenylsulfonyl)propyl]benzoic acid

K. Sethu Sankar, D. Velmurugan, B. T. S. Thirumamagal, S. Shanmuga Sundara Raj, H.-K. Fun and J.-K. Moon

Abstract: In the title acids, C₁₅H₁₄O₄S, (I), and C₁₆H₁₆O₄S, (II), respectively, the angle between the planes of the benzene ring and the carboxyl group is 13.7 (1)° for (I) and 21.3 (1)° for (II). The molecular structures are stabilized by intramolecular C-HO hydrogen bonds. The crystal packing is stabilized by a single O-HO hydrogen bond in both compounds, in which the O and H atoms are ordered; HO 1.87 Å for (I) and 1.83 Å for (II), OO 2.680 (2) Å for (I) and 2.652 (3) Å for (II), and O-HO 172° for (I) and 175° for (II). The hydrogen bond forms a cyclic dimer, with graph-set descriptor R ${_2^2}$ (8), about a centre of symmetry.

Formula: C₁₅H₁₄O₄S and C₁₆H₁₆O₄S

Online 11 April 2002


	Structure factor file (CIF format) (164.4 kbytes) Contains datablock I

	Structure factor file (CIF format) (123.7 kbytes) Contains datablock II

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