1-乙基-3,3-二-甲基-螺旋-[英多林-2,8'-烯[1,9-fg]]]
Xiaoming Zhu1, Zhen Jiang1, Zhiqiang Liu1
1State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, People's Republic of China.
IUCrData
|March 8, 2024
概括
这项研究详细介绍了与烯融合的螺旋衍生物的晶体结构. 分子分析揭示了特定的二面角和分子间C-Hπ相互作用,形成了一个3D网络.
科学领域:
- 有机化学 有机化学
- 晶体学 晶体学是指结晶学.
- 材料科学 材料科学 材料科学
背景情况:
- 螺旋衍生物以其有趣的光物理特性而闻名.
- 化系统提供了独特的电子和结构特征.
- 了解分子包装对于预测材料行为至关重要.
研究的目的:
- 为了确定一种新型的烯融合螺旋衍生物的晶体结构.
- 分析分子构造和分子间相互作用.
- 为了提供有关该化合物的固态特性的见解.
主要方法:
- 单晶X射线衍射被用来阐明晶体结构.
- 分析了结晶学数据以确定分子几何学和包装.
- 量化了二面角和分子间相互作用.
主要成果:
- 化合物C30H25NO与两个分子在不对称单元中结晶.
- 化环子单位之间的二面角被测定为76.20(8) °和89.38(9) °.
- 弱C-Hπ相互作用被确定为3D网络形成的主要驱动力.
结论:
- 晶体结构提供了对烯融合的螺旋衍生物固态排列的详细了解.
- 观察到的二面角表明显著的形状灵活性或特定的包装偏好.
- 鉴定的C-Hπ相互作用是材料三维超分子结构的关键.
相关概念视频
Aromatic Hydrocarbon Cations: Structural Overview
2.8K
Cycloheptatriene is a neutral monocyclic unsaturated hydrocarbon that consists of an odd number of carbon atoms and an intervening sp3 carbon in the ring. The three double bonds in the ring correspond to 6 π electrons, which is a Huckel number, and therefore satisfies the criteria of 4n + 2 π electrons. However, the intervening sp3 carbon disrupts the continuous overlap of p orbitals. As a result, cycloheptatriene is not aromatic.
Removing one hydrogen from the intervening CH2 group...
Removing one hydrogen from the intervening CH2 group...
2.8K
UV–Vis Spectroscopy: Woodward–Fieser Rules
24.3K
UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...
24.3K
Stereoisomerism of Cyclic Compounds
8.9K
In this lesson, we delve into the role of ring conformation and its stability, which determines the spatial arrangement and, consequently, the molecular symmetry and stereoisomerism of cyclic compounds. 1,2-Dimethylcyclohexane is used as a case study to evaluate the possible number of stereoisomers. Here, given the multiple (n = 2) chiral centers, there are 2n = 4 possible configurations that lack a plane of symmetry, as the ring skeleton exists in a non-planar chair conformation. In addition,...
8.9K
Diels–Alder Reaction Forming Cyclic Products: Stereochemistry
3.9K
The Diels–Alder reaction is one of the robust methods for synthesizing unsaturated six-membered rings. The reaction involves a concerted cyclic movement of six π electrons: four π electrons from the diene and two π electrons from the dienophile.
3.9K
Five-Membered Heterocyclic Aromatic Compounds: Overview
3.9K
Heterocyclic aromatic compounds are cyclic compounds that are aromatic and have one or more heteroatoms—atoms other than carbon, in the ring. Depending upon the number of atoms present in the ring, they can be either five or six-membered. Examples of five-membered heterocyclic aromatic compounds include pyrrole, furan, thiophene, and imidazole. Pyrrole consists of one nitrogen atom having one lone pair of electrons. Furan and thiophene have one oxygen and one sulfur heteroatom,...
3.9K
Prochirality
3.8K
The concept of prochirality leads to the nomenclature of the individual faces of a molecule and plays a crucial role in the enantioselective reaction. It is a concept where two or more achiral molecules react to produce chiral products. A typical process is the reaction of an achiral ketone to generate a chiral alcohol. Here, the achiral reactant reacts with an achiral reducing agent, sodium borohydride, to generate an equimolar mixture of the chiral enantiomers of the product. For example, an...
3.8K

![Cercosporin-Photocatalyzed [4+1]- and [4+2]-Annulations of Azoalkenes Under Mild Conditions](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F60786.jpg&w=3840&q=50)
![Solid-phase Synthesis of [4.4] Spirocyclic Oximes](/_next/image?url=https%3A%2F%2Fcloudfront.jove.com%2FCDNSource%2Fteasers%2F58508.jpg&w=3840&q=50)