Competing hydrogen-bond donors: phenols vs. cyanooximes

被引：23

作者：

Aakeroy, Christer B. ^{[1
]}

Epa, Kanishka N. ^{[1
]}

Forbes, Safiyyah ^{[1
]}

Desper, John ^{[1
]}

机构：

[1] Kansas State Univ, Dept Chem, Manhattan, KS 66506 USA

来源：

CRYSTENGCOMM | 2013年 / 15卷 / 30期

关键词：

VERSATILE TOOLS; REAGENTS;

D O I：

10.1039/c3ce41023d

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Based on a systematic structural study of co-crystals of a ditopic probe molecule, (Z)-N,4-dihydroxybenzimidoyl cyanide, decorated with an -OH group and a cyanooxime moiety, it has been shown that in a competitive molecular recognition event, the former is the better hydrogen-bond donor. This structural behaviour is reflected by calculated electrostatic potential surfaces of the competing donors, which highlights that electrostatic charge can offer a reliable tool for predicting primary hydrogen-bond preferences.

引用

页码：5946 / 5949

页数：4

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