合成,晶体结构和六种新型胺-2-替代三三醇的分子间相互作用
Huijie Song1, Ri Peng1, Yi Zuo2
1College of Chemical Engineering, State Key Laboratory of Materials-oriented Chemical Engineering, Nanjing Tech University, Nanjing 211816, People's Republic of China.
Acta crystallographica. Section C, Structural chemistry
|March 12, 2024
概括
合成和表征了六种新的胺-2-替代三三醇. 这些化合物通过各种分子间相互作用形成多样化的三维网络,包括键和素键,为晶体工程提供了洞察力.
科学领域:
- 有机化学 有机化学
- 晶体学 晶体学是指结晶学.
- 超分子化学 超分子化学
背景情况:
- 三三醇是异环化合物的一类,具有多种应用.
- 了解有机晶体中的分子间相互作用对于设计具有特定性质的材料至关重要.
研究的目的:
- 合成和描述新型的胺-2-替代三三醇.
- 研究这些化合物的晶体结构和分子间相互作用.
- 探索替代剂和素结合在稳定三维网络中的作用.
主要方法:
- 合成六种胺-2-替代的三三醇.
- 使用UV-Vis,FT-IR,1H NMR,ESI-MS和元素分析进行表征.
- 单晶X射线衍射以确定分子和晶体结构.
- 希尔什菲尔德表面分析以调查分子间相互作用.
主要成果:
- 成功合成了六种目标化合物,产量很好.
- 结晶结构的确定揭示了由键 (O-H...N,C-H...O,C-H...N) 和C-H...π相互作用稳定的多种3D框架.
- 在,和替代化合物中观察素结合相互作用,进一步稳定3D网络.
- 赫什菲尔德的分析证实了H...H,N...H/H...N和C...H/H...C接触者的统治地位.
结论:
- 合成的胺-2-替代三三醇表现出丰富的超分子化学.
- 分子间相互作用,包括键和键,在3D网络的形成中发挥着重要作用.
- 这项研究为水晶工程和新型有机材料的设计提供了宝贵的见解.
相关概念视频
Basicity of Heterocyclic Aromatic Amines
6.0K
Heterocyclic amines, where the N atom is a part of an alicyclic system, are similar in basicity to alkylamines. Interestingly, the heterocyclic amine having a nitrogen atom as part of an aromatic ring has much less basicity than its corresponding alicyclic counterpart. For this reason, as presented in Figure 1, piperidine (pKb = 2.8) is significantly more basic than pyridine (pKb = 8.8).
6.0K
Diazonium Group Substitution: –OH and –H
2.8K
Nitrous acid, a weak acid, is prepared in situ via the reaction of sodium nitrite with a strong acid under cold conditions. This nitrous acid prepared in situ reacts with primary arylamines to form arenediazonium salts. Such reactions are known as diazotization reactions. As shown in Figure 1, the formation of arenediazonium salts begins with the decomposition of nitrous acid in an acidic solution to give nitrosonium ions.
2.8K
Nucleophilic Aromatic Substitution of Aryldiazonium Salts: Aromatic SN1
2.1K
Treating arylamines with nitrous acid gives aryldiazonium salts that are effective substrates in nucleophilic aromatic substitution reactions. The diazonio group in these salts can be easily displaced by different nucleophiles, yielding a wide variety of substituted benzenes. The leaving group departs as nitrogen gas, and this easy elimination is the driving force for the substitution reaction.
In the Sandmeyer reaction, for example, the diazonio group is replaced by a chloro, bromo,...
In the Sandmeyer reaction, for example, the diazonio group is replaced by a chloro, bromo,...
2.1K
Aryldiazonium Salts to Azo Dyes: Diazo Coupling
2.9K
The reaction of weakly electrophilic aryldiazonium (also called arenediazonium) salts with highly activated aromatic compounds leads to the formation of products with an —N=N— link, called an azo linkage. This reaction, presented in Figure 1, is known as diazo coupling and occurs without the loss of the nitrogen atoms of the aryldiazonium salt. Highly activated aromatic compounds such as phenols or arylamines favor the diazo coupling reaction. The coupling generally occurs at the...
2.9K
Diazonium Group Substitution with Halogens and Cyanide: Sandmeyer and Schiemann Reactions
1.9K
Arenediazonium substitution reactions occur when the diazonium group is substituted by various functional groups such as halides, hydroxyl, nitrile, etc. For instance, arenediazonium salts react with copper(I) salts of chloride, bromide, or cyanide to form corresponding aryl chlorides, bromides, and nitriles. These reactions are named Sandmeyer reactions. Although the mechanism of this reaction is complicated, as illustrated in Figure 1, they are believed to progress via an aryl copper...
1.9K
Nomenclature of Aryl and Heterocyclic Amines
2.4K
The simplest aromatic amine is phenylamine, which contains an –NH2 functionality directly attached to an aromatic ring. The name aniline is designated for this skeleton. As shown in Figure 1, the common names of the functionalized anilines involve prefixes ortho-, meta-, and para- to indicate the substitution position. Different functionalized aniline derivatives also have notable trivial names.
2.4K


