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Interactions between Functional Groups. Part I. Crystal Structure of 2‐Phenylethynyl‐N,N‐dimthlaniline at 98 K: A Remarkably Short CH …︁ C Distance

 

作者: John D. Wallis,   Jack D. Dunitz,  

 

期刊: Helvetica Chimica Acta  (WILEY Available online 1984)
卷期: Volume 67, issue 1  

页码: 39-46

 

ISSN:0018-019X

 

年代: 1984

 

DOI:10.1002/hlca.19840670106

 

出版商: WILEY‐VCH Verlag GmbH

 

数据来源: WILEY

 

摘要:

AbstractIn the crystal structure of the title compound at 98 K the dimethylamino group has pyramidal geometry. The nitrogenlone pair is not directed towards the triple bond; instead, one NCH3bond lies almost in the plane of the disubstituted ring, directed away from the triple bond, while the other NCH3bond and the lone pair are directed to opposite sides of the plane, nearer to the acetylene. There is a remarkably short intramolecular contact (2.39 Å) between a methyl H‐ and an acetylenic C‐atom. TheTaftσIparameter of the arylethynyl substituent appears to be similar to that of a carboxylic ester, judging from the bond‐angle deformation at the

 

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