Issue 69, 2003
From the journal:

CrystEngComm

Non-bonding interactions of anions with nitrogen heterocycles and phenyl rings: a critical Cambridge Structural Database analysis†

Ritu Ahujaa  and  Ashoka G. Samuelson*a  

* Corresponding authors

a Department of Inorganic and Physical Chemistry, Indian Institute of Science, Bangalore, India
E-mail: ashoka@ipc.iisc.ernet.in
Fax: (+91) 080 360 1552
Tel: 080 293 2663

Abstract

A study of supramolecular interactions of nitrogen heterocyclics: pyridine, bipyridine, phenanthroline and terpyridine with anions: NO3−, ClO4−, BF4−and PF6− has been carried out using the Cambridge Structural Database (CSD). A significant number of short contacts (within the sum of Van der Waals radii of the interacting atoms) is shown to exist in heterocyclic ring systems. The results are compared with interactions of anions with a phenyl ring in order to evaluate the effect of a heteroatom. The most electron deficient center is the α-carbon atom and shows the maximum number of short contacts. In general, most contacts are weak C–H⋯O and C–H⋯F hydrogen bonds, but there are also some observations of O/F⋯π interactions, which are virtually absent for simple phenyl groups.

Graphical abstract: Non-bonding interactions of anions with nitrogen heterocycles and phenyl rings: a critical Cambridge Structural Database analysis

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Article information

DOI
https://doi.org/10.1039/B311000A
Article type
Paper
Submitted
10 Sep 2003
Accepted
10 Oct 2003
First published
27 Oct 2003

CrystEngComm, 2003,5, 395-399

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Non-bonding interactions of anions with nitrogen heterocycles and phenyl rings: a critical Cambridge Structural Database analysis

R. Ahuja and A. G. Samuelson, CrystEngComm, 2003, 5, 395 DOI: 10.1039/B311000A

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