Competing hydrogen-bond donors: phenols vs. cyanooximes

Competing hydrogen-bond donors: phenols vs. cyanooximes
复制标题

竞争性氢键供体：酚类与氰基肟

DOI：
--
复制
发表时间：
2013
期刊：
影响因子：
--
通讯作者：
J. Desper
J. Desper
中科院分区：
--
文献类型：
--
作者：
C. Aakeröy;Kanishka N. Epa;Safiyyah Forbes;J. Desper

文献摘要

被引文献

相似文献

通过对双取向探针分子(Z)-N，4-二羟基苯并咪酰基氰化物的共晶结构的系统研究，发现在竞争性分子识别过程中，前者是更好的氢键供体。这种结构行为反映在竞争性供体的计算静电势表面上，这突出表明静电电荷可以为预测初级氢键偏好提供可靠的工具。
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.