(Z)-2-(6-chloroimidazo[1,2-a]pyridin-2-yl)-3-[4-(di-methyl-amino)phen-yl]acrylo-nitrile的合成和晶体结构,其中包括基基基基基基基基基基基基基基基基基
Ludovic Akonan1, Eric Ziki2, Deto Ursul Jean-Paul N'guessan3
1Laboratory of Fundamental and Applied Physics Nangui ABROGOUA University, Abidjan,Ivory Coast.
Acta crystallographica. Section E, Crystallographic communications
|September 8, 2025
概括
确定了C18H15ClN4的晶体结构在100K. 这种化合物通过键和π-π堆叠形成一个网络,揭示了关键的分子间相互作用.
科学领域:
- 晶体工程 晶体工程
- 超分子化学 超分子化学
- 有机化学 有机化学
背景情况:
- 了解分子间力量对于设计具有特定性质的材料至关重要.
- 结合和π-π堆叠是晶体包装的主要驱动因素.
- 希尔什菲尔德表面分析提供了对分子间相互作用的定量见解.
研究的目的:
- 为了阐明标题化合物的晶体结构,C18H15ClN4.4.
- 研究分子间相互作用在稳定晶格中的作用.
- 分析各种接触对整体晶体凝聚力的贡献.
主要方法:
- 在低温 (100K) 的单晶X射线衍射.
- 分析分子间相互作用,包括键 (C-HN,C-HCl) 和π-π堆叠.
- 希尔什菲尔德表面分析量化接触贡献.
主要成果:
- 在100K时成功确定了C18H15ClN4的晶体结构.
- 分子通过C-HN和C-HCl键沿着[010]方向自组装成一个网络.
- 从HH (30.2%),HC/CH (28.6%) 和HN/NH (19.9%) 相互作用中发现了显著的贡献.
结论:
- 晶体结构通过结合,π-π堆叠和其他分子间力量的结合来稳定.
- 希尔什菲尔德表面分析证实了HH和HC接触的优势,其次是HN相互作用.
- 这些发现为了解相关有机化合物的结构-性质关系提供了有价值的数据.
相关概念视频
Preparation of 1° Amines: Gabriel Synthesis
4.5K
Direct alkylation is not a suitable method for synthesizing amines because it produces polyalkylated products. Gabriel synthesis is the most preferred method to exclusively make primary amines. The method uses phthalimide, which contains a protected form of nitrogen that participates in alkylation only once to predominantly give primary amines.
Strong bases like NaOH or KOH deprotonate the phthalimide to form the corresponding anion, which acts as a nucleophile. Further, the anion attacks an...
Strong bases like NaOH or KOH deprotonate the phthalimide to form the corresponding anion, which acts as a nucleophile. Further, the anion attacks an...
4.5K
Structures of Carboxylic Acid Derivatives
3.7K
Structure of Carboxylic Acid Derivatives
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
Carboxylic acid derivatives contain an acyl group attached to a heteroatom such as chlorine, oxygen, or nitrogen. The carbonyl carbon and oxygen are both sp2-hybridized with an unhybridized p orbital.
The three sp2 orbitals of the carbonyl carbon form three σ bonds, one each with the carbonyl oxygen, the α carbon, and the heteroatom, whereas the other two sp2 orbitals of the carbonyl oxygen are occupied by the lone pairs. Further, the unhybridized p...
3.7K
Acid Halides to Amides: Aminolysis
4.2K
Aminolysis is a nucleophilic acyl substitution reaction, where ammonia or amines act as nucleophiles to give the substitution product. Acid halides react with ammonia, primary amines, and secondary amines to yield primary, secondary, and tertiary amides, respectively.
In the first step of the aminolysis mechanism, the amine attacks the carbonyl carbon of the acyl chloride to form a tetrahedral intermediate. In the second step, the carbonyl group is re-formed with the elimination of a chloride...
In the first step of the aminolysis mechanism, the amine attacks the carbonyl carbon of the acyl chloride to form a tetrahedral intermediate. In the second step, the carbonyl group is re-formed with the elimination of a chloride...
4.2K
Diazonium Group Substitution: –OH and –H
3.3K
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.
3.3K
Structure of Amines
3.2K
The hybridized nitrogen atom in amines possesses a lone pair of electrons and is bound to three substituents with a bond angle of around 108°, which is less than the tetrahedral angle of 109.5°. However, the C–N–H bond angle is slightly larger at 112°, with a carbon–nitrogen bond length of 147 pm. This carbon–nitrogen bond length of of amines is longer than the carbon–oxygen bond of alcohols (143 pm) but shorter than alkanes’ carbon–carbon bond (154 pm). These aspects are...
3.2K
Amines to Amides: Acylation of Amines
3.4K
Various carboxylic acid derivatives (such as acid chlorides, esters, and anhydrides) can be used for the acylation of amines to yield amides. The reaction requires two equivalents of amines. The first amine molecule functions as a nucleophile and attacks the carbonyl carbon to produce a tetrahedral intermediate. This is followed by the loss of the leaving group and restoration of the C=O bond.
Next, the second equivalent of amine serves as a Brønsted base and deprotonates the quaternary...
Next, the second equivalent of amine serves as a Brønsted base and deprotonates the quaternary...
3.4K


