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

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, Jib-Kim Moon

Acta Crystallogr C. 2002 May;58(Pt 5):o257-9.

PMID: 11983983

Abstract:

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.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP129271983	1-(Phenylsulfonyl)-3-indolylboronic acid		129271-98-3	Price

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