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Structural and conformational studies of derivatives of 2,4,8-trihydroxy-5-oxo-10-methylbenzo [1,2-c] chromene (alternariol) III: Crystal and molecular structure of (±)-4,9,10-triacetoxy-2-methoxydibenzo[ce]oxepine-5-one

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Abstract

The structure of (±)-4,9,10-triacetoxy-2-methoxydibenzo[ce] oxepin-5-one (DHAT) has been determined by x-ray crystallographic methods. The crystals are monoclinic:a = 17.829(2),b = 7.937(1),c = 13.937(2) Å, β = 95.629(2) °, andZ = 4. The structure was solved by direct methods and refined by Fourier and least-squares techniques on 2862 symmetry-independent ¦F 0¦ data toR = 3.9%. A novel expansion of the pyrone ring of the parent compound has been found. There is no evidence for hydrogen bonding and there are no unusual intermolecular contacts.

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Authors and Affiliations

  1. Department of Chemical Physics, University of Surrey, Guildford, Surrey, England

    M. F. C. Ladd & D. C. Povey

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  1. M. F. C. Ladd
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  2. D. C. Povey
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Ladd, M.F.C., Povey, D.C. Structural and conformational studies of derivatives of 2,4,8-trihydroxy-5-oxo-10-methylbenzo [1,2-c] chromene (alternariol) III: Crystal and molecular structure of (±)-4,9,10-triacetoxy-2-methoxydibenzo[ce]oxepine-5-one. Journal of Crystal and Molecular Structure 6, 139–152 (1976). https://doi.org/10.1007/BF01200581

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  • DOI: https://doi.org/10.1007/BF01200581

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