4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone, a Nicotine-derived Carcinogenic Nitrosaminoketone (NNK): Three-dimensional Structure

Amy K. Katz, H. L. Carrell, Carol E. Afshar, Jenny P. Glusker, Dhimant Desai, Shantu Amin

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

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.

Original languageEnglish (US)
Pages (from-to)439-443
Number of pages5
JournalStructural Chemistry
Volume10
Issue number6
DOIs
StatePublished - Jan 1 1999

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nicotine
Nicotine
Molecules
Dihedral angle
dihedral angle
molecules
pyridines
X rays
rings
x rays
interactions
4-(N-methyl-N-nitrosamino)-1-(3-pyridyl)-1-butanone

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry

Cite this

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abstract = "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.",
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4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone, a Nicotine-derived Carcinogenic Nitrosaminoketone (NNK) : Three-dimensional Structure. / Katz, Amy K.; Carrell, H. L.; Afshar, Carol E.; Glusker, Jenny P.; Desai, Dhimant; Amin, Shantu.

In: Structural Chemistry, Vol. 10, No. 6, 01.01.1999, p. 439-443.

Research output: Contribution to journalArticle

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AU - Desai, Dhimant

AU - Amin, Shantu

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