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Journal of Structural Chemistry

2015 year, number 4

CRYSTAL STRUCTURE OF S,S'-DIMETHYL-N-NITROIMIDODITHIOCARBONATE

A. M. Astachov1, A. D. Vasiliev2, D. V. Antishin1, E. S. Buka1
1Siberian State Technological University, Krasnoyarsk, Russia
2Kirensky Institute of Physics, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, Russia
Keywords: нитримины, производные нитрогуанидина, рентгеноструктурный анализ, строение молекул, nitrimines, nitroguanidine derivatives, single crystal X-ray analysis, molecular structure

Abstract

The molecule of S,S'-dimethyl-N-nitroimidodithiocarbonate has a planar geometry (with the exception of hydrogen atoms of methyl groups), stabilized by the shortened S…O contact. The bond lengths in the >С=N-NO2 nitrimine moiety, in contrast to nitroguanidine derivatives, make it possible to consider the molecular structure of the compound within the traditional valence formula. The crystal structural feature of the compound is a low energy of its crystal lattice.