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Intermolecular O-H.O Hydrogen Bonding in the Three Independent Molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic Acid

Intermolecular O-H.O Hydrogen Bonding in the Three Independent Molecules of (2S)-3-(4-hydroxyphenyl)-2-(1-oxoisoindolin-2-yl)propanoic Acid

F Brady, J F Gallagher

Acta Crystallogr C. 2000 Nov;56 Pt 11:1407-10.

PMID: 11077316

Abstract:

The title compound, C(17)H(15)NO(4), derived from L-tyrosine, crystallizes with three independent molecules which differ in the conformation of the asymmetric unit: the N-C-C-C(ipso) torsion angles are -71.7 (5), -63.6 (6) and -52.5 (5) degrees, respectively. Deformations in the phenol ring hydroxy O-C-C angles of 116.5 (4)/123.9 (4), 121.7 (5)/118.1 (4) and 122.4 (5)/118.6 (5) degrees, respectively, result from their respective intermolecular hydrogen-bonding environments. Intermolecular O(acid)-H.O=C(indole), O(phenol)-H.O-H(phenol) and O(phenol)-H.O=C(indole) hydrogen bonds, with O.O distances in the range 2.607 (4)-2.809 (4) A, are present in combination with C-H.O and C-H.pi(arene) interactions. The primary hydrogen-bonding systems assemble with graph sets R(3)(3)(8) and R(3)(2)(22).

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP116883626	(2S)-2-(5-Iodo-6-methoxynaphthalen-2-yl)propanoic acid		116883-62-6	Price

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