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2-Hy-droxy-2-trifluoro-methyl-3,4-dihydro-2H-1-benzopyran-4-one.

ABSTRACT: The heterocyclic ring in the title compound, C(10)H(7)F(3)O(3), has a half-boat conformation with the hy-droxy-bearing C atom lying 0.595?(3)?Å out of the plane of the five remaining atoms (r.m.s. deviation = 0.022?Å) in the direction of the hy-droxy O atom. Linear supra-molecular chains along the a axis, sustained by O-H?O hydrogen bonds between the hy-droxy H and ketone O atoms, feature in the crystal packing. These chains are connected into a three-dimensional architecture by C-H?O and C-H?F contacts.

SUBMITTER: Asiri AM

PROVIDER: S-EPMC3394075 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-Hy-droxy-2-trifluoro-methyl-3,4-dihydro-2H-1-benzopyran-4-one.

Asiri Abdullah M AM Faidallah Hassan M HM Alamry Khalid A KA Ng Seik Weng SW Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

The heterocyclic ring in the title compound, C(10)H(7)F(3)O(3), has a half-boat conformation with the hy-droxy-bearing C atom lying 0.595 (3) Å out of the plane of the five remaining atoms (r.m.s. deviation = 0.022 Å) in the direction of the hy-droxy O atom. Linear supra-molecular chains along the a axis, sustained by O-H⋯O hydrogen bonds between the hy-droxy H and ketone O atoms, feature in the crystal packing. These chains are connected into a three-dimensional architecture by C-H⋯O and C-H⋯F ...[more]

PMID: 22798940

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