Exploring the structural landscape of 2‐(thiophen‐2‐yl)‐1,3‐benzothiazole: high‐ Z Z ′ packing polymorphism and cocrystallization with calix[4]tube

Alvarenga Meiry E.; Valdo Ana Karoline S. M.; Ribeiro Leandro; Do Nascimento Neto José Antonio; De Araujo Debora P.; Da Silva Cleiton Moreira; De Fátima ?ngelo; Martins Felipe T.

首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Exploring the structural landscape of 2‐(thiophen‐2‐yl)‐1,3‐benzothiazole: high‐ Z Z ′ packing polymorphism and cocrystallization with calix[4]tube

【24h】

Exploring the structural landscape of 2‐(thiophen‐2‐yl)‐1,3‐benzothiazole: high‐ Z Z ′ packing polymorphism and cocrystallization with calix[4]tube

机译：探索2-（噻吩-2-基）-1,3-苯并噻唑：高Z Z'包装多态性和用COLIX的COCRYALIZ化的结构景观[4]管

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相似文献
相关主题

摘要

We report here for the first time a cocrystal of the so‐called neutral calix[4]tube, which is two tail‐to‐tail‐arranged and partially deprotonated tetrakis(carboxymethoxy)calix[4]arenes, including three sodium ions, with 2‐(thiophen‐2‐yl)‐1,3‐benzothiazole, namely trisodium bis(carboxymethoxy)bis(carboxylatomethoxy)calix[4]arene tris(carboxymethoxy)(carboxylatomethoxy)calix[4]arene–2‐(thiophen‐2‐yl)‐1,3‐benzothiazole–dimethyl sulfoxide–water (1/1/2/2), 3Na + ·C 36 H 30 O 12 2? ·C 36 H 31 O 12 ? ·C 11 H 7 NS 2 ·2C 2 H 6 OS·2H 2 O, which provides a new approach into the host–guest chemistry of inclusion complexes. Three packing polymorphs of the same benzothiazole with high Z ′ (one with Z ′ = 8 and two with Z ′ = 4) were also discovered in the course of our desired cocrystallization. The inspection of these polymorphs and a previously known polymorph with Z ′?= 2 revealed that Z ′ increases as the strength of intermolecular contacts decreases. Also, these results expand the frontier of invoking calixarenes as a host for nonsolvent small molecules, besides providing knowledge on the rare formation of high‐ Z ′ packing polymorphs of simple molecules, such as the target benzothiazole.

机译：我们首次报告所谓的中性杯子[4]管的COCrystal，这是两种尾巴排列和部分去质子的四（羧甲氧基）Chix [4]，包括三个钠离子，有2-（噻吩-2-基）-1,3-苯并噻唑，即三钠双（羧甲氧基）双（羧丙甲氧基）CALIX [4]芳烃三（羧甲氧基）（羧甲氧基）CALIX [4]芳烃-2-（噻吩-2 - 酯）-1,3-苯并噻唑-二甲基亚甲醚 - 水（1/1/2/2），3NA +·C 36 H 30 O 12 2？ ·C 36 H 31 O 12？ ·C 11 H 7 NS 2·2C 2 H 6 OS·2小时2 o，它为包裹复合物的宿主客观化学提供了一种新方法。在我们所需的COCryalization的过程中还发现了具有高Z'的三种相同苯并噻唑的三种填充多晶型物（用Z'= 8和2）发现。当分子间触点的强度降低时，将这些多晶型物和先前已知的多晶型物的检测显示为随着分子间触点的强度降低的增加。此外，这些结果扩展了作为非溶剂小分子的宿主调用Calixarenes的前沿，除了提供关于简单分子的高Z'包装多晶型物的罕见形成的知识，例如苯并噻唑。

著录项

来源
《Acta crystallographica. Section C, Structural chemistry.》 |2019年第6期|共10页
作者
Alvarenga Meiry E.; Valdo Ana Karoline S. M.; Ribeiro Leandro; Do Nascimento Neto José Antonio; De Araujo Debora P.; Da Silva Cleiton Moreira; De Fátima ?ngelo; Martins Felipe T.;
展开▼
作者单位

Institute of Chemistry Federal University of Goiás Goiania GO 74001-970 Brazil;

Institute of Chemistry Federal University of Goiás Goiania GO 74001-970 Brazil;

Institute of Chemistry Federal University of Goiás Goiania GO 74001-970 Brazil;

Institute of Chemistry Federal University of Goiás Goiania GO 74001-970 Brazil;

Departamento de Ciências Naturais Universidade Federal do Espírito Santo S?o Mateus ES 29932-540;

Grupo de Estudos em Química Organica e Biológica (GEQOB) Departamento de Química Instituto de Ci;

Grupo de Estudos em Química Organica e Biológica (GEQOB) Departamento de Química Instituto de Ci;

Institute of Chemistry Federal University of Goiás Goiania GO 74001-970 Brazil;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类晶体学;
关键词
packing polymorphism; crystal structure; cocrystal; calix4tube; calixarene; high Z; benzothiazole;

机译：包装多态性;晶体结构;cocrystal;cocrystal;colix [4]管;钙喹;高z;苯并噻唑;

相似文献

外文文献
中文文献
专利

1. Exploring the structural landscape of 2‐(thiophen‐2‐yl)‐1,3‐benzothiazole: high‐ Z Z ′ packing polymorphism and cocrystallization with calix[4]tube [J] . Alvarenga Meiry E., Valdo Ana Karoline S. M., Ribeiro Leandro, Acta crystallographica. Section C, Structural chemistry. . 2019,第6期

机译：探索2-（噻吩-2-基）-1,3-苯并噻唑：高Z Z'包装多态性和用COLIX的COCRYALIZ化的结构景观[4]管
2. Synthesis and structures of photoactive rhenium carbonyl complexes derived from 2‐(pyridin‐2‐yl)‐1,3‐benzothiazole, 2‐(quinolin‐2‐yl)‐1,3‐benzothiazole and 1,10‐phenanthroline [J] . Pinto Miguel, Chakraborty Indranil, Martinez-Gonzalez Jorge, Acta crystallographica. Section C, Structural chemistry. . 2017,第11期

机译：衍生自2-（吡啶-2-基）-1,3-苯甲噻唑，2-（喹啉-2-基）-1,3-苯并噻唑和1,10菲咯啉的光活性铼羰基络合物的合成与结构
3. Synthesis and structures of photoactive manganese-carbonyl complexes derived from 2-(pyridin-2-yl)-1,3-benzothiazole and 2-(quinolin-2-yl)-1,3-benzothiazole [J] . Stenger-Smith Jenny, Chakraborty Indranil, Carrington Samantha, Acta crystallographica. Section F, Structural biology communications . 2017,第4期

机译：衍生自2-（吡啶-2-基）-1,3-苯并噻唑和2-（喹啉-2-基）-1,3-苯并噻唑的光活性锰 - 羰基复合物的合成与结构
4. Structural polymorphism of the HIV-1 leader region explored by computational methods [O] . Wojciech Kasprzak, Eckart Bindewald, Bruce A. Shapiro 2005

机译：通过计算方法探索HIV-1前导区的结构多态性
5. Crystal structure of racemic [(1R,2S,3R,4S,6S)-2,6-bis(furan-2-yl)-4-hydroxy-4-(thiophen-2-yl)cyclohexane-1,3-diyl]bis(thiophen-2-ylmethanone). Corrigendum [O] . Ísmail Çelik, Cem Cüneyt Ersanlı, Mehmet Akkurt, 2016

机译：外消旋[（1R，2s，3R，4s，6s）-2,6-双（呋喃-2-基）-4-羟基-4-（噻吩-2-基）环己烷-1,3-二基的晶体结构]双（噻吩-2-基甲酮）。更正

Exploring the structural landscape of 2‐(thiophen‐2‐yl)‐1,3‐benzothiazole: high‐ Z Z ′ packing polymorphism and cocrystallization with calix[4]tube

摘要

著录项

相似文献

相关主题

期刊订阅