4,6-ジメチル-1,2,3-トリアジン 2-イミンの結晶構造

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タイトル別名
  • Crystal Structure of 4, 6-Dimethyl-1, 2, 3-triazine 2-Imine
  • 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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抄録

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.

収録刊行物

  • 薬学雑誌

    薬学雑誌 108 (11), 1040-1045, 1988

    公益社団法人 日本薬学会

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