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

被引：44

作者：

Infantes, L

Motherwell, WDS

机构：

[1] Cambridge Crystallog Data Ctr, Cambridge CB2 1EZ, England

[2] CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain

来源：

CHEMICAL COMMUNICATIONS | 2004年 / 10期

关键词：

D O I：

10.1039/b402939a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：1166 / 1167

页数：2

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