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5-Chloro-6-hy-droxy-7,8-dimethyl-chroman-2-one.

ABSTRACT: In the title mol-ecule, C(11)H(11)ClO(3), the fused pyran ring adopts a half-chair conformation. In the crystal, inter-molecular O-H?O hydrogen bonds link mol-ecules into chains along [100]. These chains are inter-connected by weak inter-molecular C-H?O contacts which generate R(2) (2)(8) ring motifs, forming sheets parallel to (001). Tetra-gonal symmetry generates an equivalent motif along b. Furthermore, the sheets are linked along the c axis by offset ?-? stacking inter-actions involving the benzene rings of adjacent mol-ecules [with centroid-centroid distances of 3.839?(2)?Å], together with an additional weak C-H?O hydrogen bond, resulting in an overall three-dimensional network.

SUBMITTER: Cameron SA

PROVIDER: S-EPMC3213581 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

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5-Chloro-6-hy-droxy-7,8-dimethyl-chroman-2-one.

Cameron Scott A SA Goswami Shailesh K SK Hanton Lyall R LR McAdam C John CJ Moratti Stephen C SC Simpson Jim J

Acta crystallographica. Section E, Structure reports online 20110730 Pt 8

In the title mol-ecule, C(11)H(11)ClO(3), the fused pyran ring adopts a half-chair conformation. In the crystal, inter-molecular O-H⋯O hydrogen bonds link mol-ecules into chains along [100]. These chains are inter-connected by weak inter-molecular C-H⋯O contacts which generate R(2) (2)(8) ring motifs, forming sheets parallel to (001). Tetra-gonal symmetry generates an equivalent motif along b. Furthermore, the sheets are linked along the c axis by offset π-π stacking inter-actions involving the ...[more]

PMID: 22091158

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