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Katz AK , Carrell HL , Afshar CE , Glusker JP , Desai D , Amin S
4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, a nicotine- derived carcinogenic nitrosaminoketone (NNK): Three-dimensional structure
Structural Chemistry. 1999 Dec;10(6) :439-443
PMID: ISI:000084717200007   
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The three-dimensional structure of the carcinogenic nicotine- derived nitrosaminoketone, 4-(methylnitrosamino)-1-(3-pyridyl)- 1-butanone, has been determined by X-ray crystallographic techniques. The molecule is essentially planar except for the methylnitrosamine group which is oriented at a dihedral angle of 68.7 degrees to the pyridine ring. Molecules pack by way of C-H ... O interactions that involve the -NNO group.
Times Cited: 0 English Article 273PZ STRUCT CHEM