Issue 10, 2004
From the journal:

Chemical Communications

The probable number of hydrogen-bonded contacts for chemical groups in organic crystal structures†

Lourdes Infantes*ab  and  W. D. Sam Motherwella  

* Corresponding authors

a Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, UK
Fax: 44 1223 336033
Tel: 44 1223 336408

b Instituto de Química-Física ‘Rocasolano’, CSIC, Serrano 119, E-28006 Madrid, Spain
E-mail: xlourdes@iqfr.csic.es
Fax: 34 915 642431
Tel: 34 915 619400

Abstract

A new database has been created for chemical groups and their hydrogen-bonded contacts for 41055 organic crystals. The accessible surface of an atom and the ratio between the number of donors and acceptors in a compound have been found to be useful parameters to predict the probable number of contacts for that atom.

Graphical abstract: The probable number of hydrogen-bonded contacts for chemical groups in organic crystal structures

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Article information

DOI
https://doi.org/10.1039/B402939A
Article type
Communication
Submitted
26 Feb 2004
Accepted
25 Mar 2004
First published
23 Apr 2004

Chem. Commun., 2004, 1166-1167

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The probable number of hydrogen-bonded contacts for chemical groups in organic crystal structures

L. Infantes and W. D. S. Motherwell, Chem. Commun., 2004, 1166 DOI: 10.1039/B402939A

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