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14-Bromo-12-chloro-2,16-dioxa-penta-cyclo-[7.7.5.0(1,21).0(3,8).0(10,15)]henicosa-3(8),10,12,14-tetra-ene-7,20-dione.

ABSTRACT: In the title compound, C19H16BrClO4, both the fused xanthene rings and one of the cyclo-hexane rings adopt envelope conformations, while the other cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by C-H?O hydrogen bonds, forming infinite chains running along [10-1] incorporating R 2 (2)(16) ring motifs. In addition, C-H?? inter-actions and weak ?-? stacking inter-actions [centroid-centroid distance = 3.768?(3)?Å] help to consolidate the packing.

SUBMITTER: Kennedy AR

PROVIDER: S-EPMC3648294 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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14-Bromo-12-chloro-2,16-dioxa-penta-cyclo-[7.7.5.0(1,21).0(3,8).0(10,15)]henicosa-3(8),10,12,14-tetra-ene-7,20-dione.

Kennedy Alan R AR Akkurt Mehmet M Mohamed Shaaban K SK Abdelhamid Antar A AA Marzouk Adel A E AA

Acta crystallographica. Section E, Structure reports online 20130420 Pt 5

In the title compound, C19H16BrClO4, both the fused xanthene rings and one of the cyclo-hexane rings adopt envelope conformations, while the other cyclo-hexane ring is in a chair conformation. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming infinite chains running along [10-1] incorporating R 2 (2)(16) ring motifs. In addition, C-H⋯π inter-actions and weak π-π stacking inter-actions [centroid-centroid distance = 3.768 (3) Å] help to consolidate the packing. ...[more]

PMID: 23723914

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