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5-Hy-droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate.

ABSTRACT: In the title compound, C(17)H(14)O(3)·H(2)O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3?(2)° with the phenyl ring. In the crystal, the components are linked by O-H?O hydrogen bonds involving the water mol-ecule, and the hy-droxy and carbonyl groups of the organic compound. These inter-actions form a square-like supra-molecular synthon unit which propagates as chains parallel to the crystallographic b axis. A C-H?O interaction also occurs.

SUBMITTER: Torre-Fernandez L

PROVIDER: S-EPMC3009225 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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5-Hy-droxy-7-phenyl-5-(prop-2-yn-1-yl)-5,6-dihydro-1-benzofuran-2(4H)-one monohydrate.

Torre-Fernández Laura L Suero Marcos G MG García-Granda Santiago S

Acta crystallographica. Section E, Structure reports online 20101020 Pt 11

In the title compound, C(17)H(14)O(3)·H(2)O, the six-membered ring, which adopts a half-chair conformation, makes a dihedral angle of 24.3 (2)° with the phenyl ring. In the crystal, the components are linked by O-H⋯O hydrogen bonds involving the water mol-ecule, and the hy-droxy and carbonyl groups of the organic compound. These inter-actions form a square-like supra-molecular synthon unit which propagates as chains parallel to the crystallographic b axis. A C-H⋯O interaction also occurs. ...[more]

PMID: 21589020

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