INVESTIGATIION OF THE STRUCTURE AND PREDICTION OF THE BIOLOGICAL ACTIVITY OF 1,3-BIS(3-CYANO-6,6-DIMETHYL-2-OXO-5,6-DIHYDRO-2H-PYRAN-4-YL)-2-(4-METHOXYPHENYL)PROPANE

Authors

  • М. Флейшер Latvian Institute of Organic Synthesis, Riga LV-1006
  • С. Беляков Latvian Institute of Organic Synthesis, Riga LV-1006
  • Д. Янсоне Latvian Institute of Organic Synthesis, Riga LV-1006
  • В. Поройков V. N. Orekhovich Institute of Biomedical Chemistry, Russian Academy of Medical Sciences, Moscow 119121
  • Л. Лейте Latvian Institute of Organic Synthesis, Riga LV-1006
  • Э. Лукевиц Latvian Institute of Organic Synthesis, Riga LV-1006

DOI:

https://doi.org/10.1007/6717

Keywords:

1, 3-bis(3-cyano-6, 6-dimethyl-2-oxo-5, 6-dihydro-2H-pyran-4-yl)-2-(4-methoxyphenyl)propane, X-ray structural analysis, PM6, PASS

Abstract

Single crystals of 1,3-bis(3-cyano-6,6-dimethyl-2-oxo-5,6-dihydro-2H-pyran-4-yl)-2-(4-methoxyphenyl)-
propane were prepared, and an X-ray crystallographic analysis was performed. The compound has a molecular structure belonging to the C1 symmetry group. The heterocyclic rings are in a distorted half-chair conformation. The crystal packing is formed by centrosymmetric dimers, in which the heterocycles turned toward the inversion center are antiparallel. The biological activity of the compound was predicted by the PASS computer system.

How to Cite
Kalvinsh, I.; Stradins, J.; Skorova, A.  Chem. Heterocycl. Compd. 2009, 45, 1417. [Khim. Geterotsikl. Soedin. 2009, 1763.]

For this article in the English edition see DOI /10.1007/s10593-009-0303-x

 

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Published

2022-04-13

Issue

No. 5 (2009)

Section

Original Papers