Crystal Structure of 4, 6-Dimethyl-1, 2, 3-triazine 2-Imine

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  • 4,6-ジメチル-1,2,3-トリアジン 2-イミンの結晶構造
  • 4 6 ジメチル 1 2 3 トリアジン 2 イミン ノ ケッショウ コウゾウ

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Abstract

Evidence of the presence of monomeric heterocyclic N-imine is shown. Crystal structure of the titled compound revealed its characteristic construction including three classified molecular pairs in a unit cell. One of them was assembled with a couple of hydrogen bonds and other pairs were observed as molecular complexes. SCF-MO calculations were performed for this compound based on the crystallographic coordinates and suggested intermolecular interactions between the molecules. The nonbonded interactions were calculated by using van der Waals potential functions to discuss the thermodynamic stability of these complexes.

Journal

  • YAKUGAKU ZASSHI

    YAKUGAKU ZASSHI 108 (11), 1040-1045, 1988

    The Pharmaceutical Society of Japan

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