The single-crystal X-ray diffraction method for investigation of the structure of 2-dichloromethyl-4-phenyl-3H-1,5-benzodiazepine (I) and two derivatives, namely, 2-dichloromethyl-7,8-difluoro-4-phenyl-3H-1,5-benzodiazepine (II) and 2-dichloromethyl-7-methyl-4-phenyl-3H-1,5-benzodiazepine (III) have been used. The basic supramolecular fragment in the crystals of these compounds is centrosymmetric H-dimer of the molecules formed by the C-H...N-type hydrogen bonds. Due to the C-H…π short contacts these dimers form stacks oriented along the smallest unit cell parameter, whereas asymmetrical substitution of hydrogen atoms by the methyl group at the benzofragmente sterically prevents the formation of stacks of H-dimer, resulting in a two-dimensional - layered supramolecular structure. The correlations between the unit cell parameters and orientation of supramolecular structures in the crystals of benzodiazepine have been shown.
рентгеноструктурный анализ, гетероциклические соединения, производные бензодиазепинов, супрамолекулярная структура, межмолекулярные взаимодействия, X-ray diffraction analysis, heterocyclic compounds, benzodiazepine derivatives, supramolecular structure, intermolecular interactions
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