Crystal Structure of 4, 6-Dimethyl-1, 2, 3-triazine 2-Imine
Bibliographic Information
- Other Title
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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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Description
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
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- YAKUGAKU ZASSHI
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YAKUGAKU ZASSHI 108 (11), 1040-1045, 1988
The Pharmaceutical Society of Japan
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Keywords
Details 詳細情報について
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- CRID
- 1390282681131762560
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- NII Article ID
- 130007278305
- 110003648607
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- NII Book ID
- AN00284903
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- ISSN
- 13475231
- 00316903
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- NDL BIB ID
- 3213466
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- Data Source
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- Abstract License Flag
- Disallowed