Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 6 (June 2013)

organic compounds

Acta Cryst. (2013). E69, o872-o873    [ doi:10.1107/S1600536813012294 ]

Alternariol 9-O-methyl ether dimethyl sulfoxide monosolvate

S. Dasari, K. I. Miller, J. A. Kalaitzis, M. Bhadbhade and B. A. Neilan

Abstract: The title compound (systematic name: 3,7-dihy­droxy-9-meth­oxy-1-methyl-6H-benzo[c]chromen-6-one dimethyl sulfoxide monosolvate), C15H12O5·C2H6OS, was isolated from an unidentified endophytic fungus (belonging to class Ascomycetes) of Taxus sp. In the crystal, both the alternariol 9-O-methyl ether (AME) and the dimethyl sulfoxide (DMSO) mol­ecules exhibit crystallographic mirror symmetry. One of the hy­droxy groups makes bifurcated hydrogen bonds, viz. an intra­molecular bond with the carbonyl group and an inter­molecular bond with the carbonyl group in an inversion-related AME mol­ecule. In the crystal, the AME mol­ecules are organized into stacks parallel with the b axis by [pi]-[pi] inter­actions between centrosymmetrically related mol­ecules [the distance between the centroid of the central ring and the centroid of the meth­oxy-substituted benzene ring in the next mol­ecule of the stack is 3.6184 (5) Å]. Pairs of DMSO mol­ecules, linked via centrosymmetric C-H...O contacts, are inserted into the voids created by the AME mol­ecules, making O-H...O and C-H...O contacts with the hosts.

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