...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of the 1:1 salts of 2-amino-4-nitro­benzoate with each of (2-hy­droxy­eth­yl)di­methyl­aza­nium, tert-but­yl(2-hy­droxy­eth­yl)aza­nium and 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium
【24h】

Crystal structures of the 1:1 salts of 2-amino-4-nitro­benzoate with each of (2-hy­droxy­eth­yl)di­methyl­aza­nium, tert-but­yl(2-hy­droxy­eth­yl)aza­nium and 1,3-dihy­droxy-2-(hy­droxy­meth­yl)propan-2-aminium

机译：2-氨基-4-硝基苯甲酸酯的1：1盐与（2-羟乙基）二甲基a，叔丁基（2-羟乙基）a和1,3-二羟基-2-（羟甲基）丙2的晶体结构-铵

获取原文
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The crystal and mol­ecular structures of the title mol­ecular salts, C4H12NO+·C7H5N2O4−, (I), C6H16NO+·C7H5N2O4−, (II), and C4H12NO3+·C7H5N2O4−, (III), are described. The common feature of these salts is the presence of the 2-amino-4-nitro­benzoate anion, which exhibit non-chemically significant variations in the conformational relationships between the carboxyl­ate and nitro groups, and between these and the benzene rings they are connected to. The number of ammonium-N—H H atoms in the cations increases from one to three in (I) to (III), respectively, and this variation significantly influences the supra­molecular aggregation patterns in the respective crystals. Thus, a linear supra­molecular chain along [100] sustained by charge-assisted tertiary-ammonium-N—H⋯O(carboxyl­ate), hy­droxy-O—H⋯O(carboxyl­ate) and amino-N—H⋯O(carboxyl­ate) hydrogen-bonds is apparent in the crystal of (I). Chains are connected into a three-dimensional architecture by methyl-C—H⋯O(hy­droxy) and π–π inter­actions, the latter between benzene rings [inter-centroid separation = 3.5796 (10) Å]. In the crystal of (II), a supra­molecular tube propagating along [901] arises as a result of charge-assisted secondary-ammonium-N—H⋯O(carboxyl­ate) and hy­droxy-O—H⋯O(carboxyl­ate) hydrogen-bonding. These are connected by methyl­ene- and methyl-C—H⋯O(nitro) and π–π stacking between benzene rings [inter-centroid separation = 3.5226 (10) Å]. Finally, double-layers parallel to (100) sustained by charge-assisted ammonium-N—H⋯O(carboxyl­ate), ammonium-N—H⋯O(hy­droxy) and hy­droxy-O—H⋯O(carboxyl­ate) hydrogen-bonds are apparent in the crystal of (III). These are connected in a three-dimensional architecture by amine-N—H⋯O(nitro) hydrogen-bonds.
机译：描述了标题分子盐C4H12NO +·C7H5N2O4-（I），C6H16NO +·C7H5N2O4-（II）和C4H12NO3 +·C7H5N2O4-（III）的晶体和分子结构。这些盐的共同特征是存在2-氨基-4-硝基苯甲酸酯阴离子，该阴离子在羧酸根和硝基之间以及与它们连接的苯环之间的构象关系中显示出非化学上的显着变化。在（I）至（III）中，阳离子中的铵-NHH原子数分别从1增加至3，并且这种变化显着影响相应晶体中的超分子聚集模式。因此，沿着[100]的线性超分子链由电荷辅助的叔铵-N-H⋯O（羧酸盐），羟基-O-H⋯O（羧酸盐）和氨基-N-H⋯O（羧酸盐）氢维持-键在（I）的晶体中是明显的。通过甲基-C⋯O（羟基）和π-π相互作用将链连接成三维结构，后者在苯环之间相互作用[质心间距= 3.5796（10）Å]。在（II）的晶体中，由于电荷辅助的仲铵-N-H⋯O（羧酸盐）和羟基-O-H⋯O（羧酸盐）氢键的结合而产生了沿[901]传播的超分子管。 。它们通过亚甲基-和甲基-C⋯O（硝基）和苯环之间的π-π堆积连接[质心间距= 3.5226（10）Å]。最后，平行于（100）的双层由电荷辅助的铵-N-H⋯O（羧酸盐），铵-NH-H⋯O（羟基）和羟基-O-H⋯O（羧酸盐）氢键维持在（III）的晶体中是明显的。它们通过胺-NH = O（硝基）氢键以三维结构连接。

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