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° to the pyridine ring. Molecules pack by way of C-H⋯O interactions that involve the -NNO group.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Physical and Theoretical Chemistry