...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine
【24h】

Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine

机译：2-（1-苯基-1H-1,2,3-三唑-4-基）吡啶的六种新颖衍生物和一种多晶型物的结构图案和堆积安排的比较

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The crystal structures of a new polymorph and seven new derivatives of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine have been characterized and examined along with three structures from the literature to identify trends in their intermolecular contact patterns and packing arrangements in order to develop an insight into the crystallization behaviour of this class of compound. Seven unique C-H···X contacts were identified in the structures and three of these are present in four or more structures, indicating that these are reliable supramolecular synthons. Analysis of the packing arrangements of the molecules using XPac identified two closely related supramolecular constructs that are present in eight of the 11 structures; in all cases, the structures feature at least one of the three most common intermolecular contacts, suggesting a clear relationship between the intermolecular contacts and the packing arrangements of the structures. Both the intermolecular contacts and packing arrangements appear to be remarkably consistent between structures featuring different functional groups, with the expected exception of the carboxylic acid derivative 4-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl) benzoic acid (L11), where the introduction of a strong hydrogen-bonding group results in a markedly different supramolecular structure being adopted. The occurrence of these structural features has been compared with the packing efficiency of the structures and their melting points in order to assess the relative favourability of the supramolecular structural features in stabilizing the crystal structures.
机译：2-（1-苯基-1H-1,2,3-三唑-4-基）吡啶的一种新的多晶型物和七种新的衍生物的晶体结构已得到表征和研究，并结合文献中的三种结构进行了鉴定，以确定其趋势。它们的分子间接触模式和堆积安排，以便深入了解此类化合物的结晶行为。在结构中鉴定出七个独特的C-H···X接触，其中三个存在于四个或多个结构中，表明这些是可靠的超分子合成子。使用XPac分析分子的排列方式，鉴定出11种结构中的8种存在两种密切相关的超分子构建体;在所有情况下，结构均具有三种最常见的分子间接触中的至少一种，这表明分子间接触与结构的堆积排列之间存在明确的关系。在具有不同官能团的结构之间，分子间接触和堆积排列看起来都非常一致，但羧酸衍生物4-（4-（吡啶-2-基）-1H-1,2,3-三唑-1-基）苯甲酸（L11），其中引入强氢键基团导致采用明显不同的超分子结构。将这些结构特征的出现与结构的堆积效率及其熔点进行了比较，以评估超分子结构特征在稳定晶体结构方面的相对有利性。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号