Intermolecular interactions of immunoactive 8-azasteroid

Intermolecular interactions in 2,3-dimethoxy-8-azagone-1,3,5(10),13-tetraene-12,17-dione and the molecular and crystal structure of this compound were studied by IR spectroscopy and x-ray diffraction analysis. Shortened intermolecular contacts related to the C-H⋯O, C-H⋯π, and π⋯π interactions were revealed in crystals of this 8-azasteroid. These contacts manifest themselves in changes in the characteristic frequencies of C-H, C=O, and C=C vibrations in the IR spectra. A relationship between the intermolecular interactions occurring in the crystalline and noncrystalline solid phases and the changes in the IR spectra of this compound was established.