Crystal structure, spectroscopic study, molecular modeling, and in vitro antimicrobial activity testing of 2,2′-thiobis[4,6-diphenylpyridine-3-carbonitrile]

P. Victory, N. Busquets, J. I. Borrell, I. Sánchez, J. Teixidó, B. Serra, A. Alvarez-Larena, J. F. Piniella, J. Guinea, J. Garcia

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1 Citation (Scopus)

Abstract

The molecular and crystal structures of the title compound have been determined. The crystals are monoclinic:P21/n (14), a=11.072(2), b=14.556(2), c=17.569(3)Å, β=97.85(1)°. Vc=2805Å3, Z=4, Dx=1.285 Mg m-3, Mo Kα(λ=0.71069 Å). The molecule adopts a twisted conformation in which the relative orientations of the pyridine nitrogen atoms N101 and N201 with respect to the C-S-C angle are N101-inside. The AM1 and PM3 semiempirical calculations performed agree with the crystal structure. Mass and spectral data (ir. uv,1H and13C nmr) are also reported. The in vitro tests indicate absence of antimicrobial activity. © 1994 Plenum Publishing Corporation.
Original languageEnglish
Pages (from-to)675-679
JournalJournal of Chemical Crystallography
Volume24
DOIs
Publication statusPublished - 1 Oct 1994

Keywords

  • Molecular and crystal structures
  • antimicrobial activity testing

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