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Dasari S, Miller KI, Kalaitzis JA, et al. Alternariol 9-O-methyl ether dimethyl sulfoxide monosolvate. Acta Crystallogr Sect E Struct Rep Online. 2013;69:o872-3doi: 10.1107/S1600536813012294.
Dasari, S., Miller, K. I., Kalaitzis, J. A., Bhadbhade, M., & Neilan, B. A. (2013). Alternariol 9-O-methyl ether dimethyl sulfoxide monosolvate. Acta crystallographica. Section E, Structure reports online, 69o872-3. https://doi.org/10.1107/S1600536813012294
Dasari, Sreekanth, et al. "Alternariol 9-O-methyl ether dimethyl sulfoxide monosolvate." Acta crystallographica. Section E, Structure reports online vol. 69 (2013): o872-3. doi: https://doi.org/10.1107/S1600536813012294
Dasari S, Miller KI, Kalaitzis JA, Bhadbhade M, Neilan BA. Alternariol 9-O-methyl ether dimethyl sulfoxide monosolvate. Acta Crystallogr Sect E Struct Rep Online. 2013 May 11;69:o872-3. doi: 10.1107/S1600536813012294. Print 2013 Jun 01. PMID: 23795051; PMCID: PMC3685032.
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Acta Crystallogr Sect E Struct Rep Online. 2013 May 11;69:o872-3. doi: 10.1107/S1600536813012294. Print 2013 Jun 01.

Alternariol 9-O-methyl ether dimethyl sulfoxide monosolvate.

Acta crystallographica. Section E, Structure reports online

Sreekanth Dasari, Kristin I Miller, John A Kalaitzis, Mohan Bhadbhade, Brett A Neilan

Affiliations

  1. School of Biotechnology and Biomolecular Sciences, University of New South Wales, Sydney, NSW 2052, Australia.

PMID: 23795051 PMCID: PMC3685032 DOI: 10.1107/S1600536813012294

Abstract

THE TITLE COMPOUND (SYSTEMATIC NAME: 3,7-dihy-droxy-9-meth-oxy-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) mol-ecules exhibit crystallographic mirror symmetry. One of the hy-droxy groups makes bifurcated hydrogen bonds, viz. an intra-molecular bond with the carbonyl group and an inter-molecular bond with the carbonyl group in an inversion-related AME mol-ecule. In the crystal, the AME mol-ecules are organized into stacks parallel with the b axis by π-π inter-actions between centrosymmetrically related mol-ecules [the distance between the centroid of the central ring and the centroid of the meth-oxy-substituted benzene ring in the next mol-ecule of the stack is 3.6184 (5) Å]. Pairs of DMSO mol-ecules, linked via centrosymmetric C-H⋯O contacts, are inserted into the voids created by the AME mol-ecules, making O-H⋯O and C-H⋯O contacts with the hosts.

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