4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone, a nicotine-derived carcinogenic nitrosaminoketone (NNK): Three-dimensional structure

被引：4

作者：

Katz, AK

Carrell, HL

Afshar, CE

Glusker, JP

Desai, D

Amin, S

机构：

[1] Fox Chase Canc Ctr, Inst Canc Res, Philadelphia, PA 19111 USA

[2] Amer Hlth Fdn, Valhalla, NY 10595 USA

来源：

STRUCTURAL CHEMISTRY | 1999年 / 10卷 / 06期

基金：

美国国家卫生研究院;

关键词：

nicotine-derived nitrosaminoketone; nitrosamine; crystal structure; molecular dimensions;

D O I：

10.1023/A:1022431223064

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：439 / 443

页数：5

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