5,6-Di-甲基[d][1,3]氧甲基烯
Samantha Ponzo1, Alanna Turner1, Frank R Fronczek2
1Department of Chemistry, Lafayette, LA 70403, USA.
IUCrData
|February 7, 2024
概括
这项研究揭示了C9H10OTe在100K的晶体结构,详细介绍了其独特的正交对称和折叠分子几何学. 观察到较弱的-相互作用,影响了晶体包装.
科学领域:
- 晶体学 晶体学是指结晶学.
- 无机化学 无机化学
- 材料科学 材料科学 材料科学
背景情况:
- 了解有机化合物的固态结构对于预测其化学性质和潜在应用至关重要.
- 之前对类似含有的分子的研究表明了各种结构动机和分子间相互作用.
研究的目的:
- 为了阐明标题化合物C9H10OTe在低温 (100K) 的详细晶体结构.
- 研究晶格内部的分子几何学,对称性和分子间相互作用.
- 分析在晶体结构中观察到的伪对称性和生.
主要方法:
- 在100K的单晶X射线衍射.
- 分析晶体学数据以确定空间组,单元细胞参数和原子坐标.
- 希尔什菲尔德表面分析以量化分子间相互作用.
主要成果:
- 该化合物结晶在正体-体-体空间组P21212中,在不对称单位 (Z' = 2) 中有两个独立的分子.
- 分子沿着TeO轴表现出折叠的形状,Te-C-O平面的平均角度为25.1°.
- 确定了3.7191(4) Å的弱分子间TeTe相互作用的距离.
- 该结构与Pccn空间组 (Z' = 1) 呈现强烈的伪对称性,并被发现是反向双胞胎.
结论:
- 确定的晶体结构为这种有机化合物的固态行为提供了基本的见解.
- 观察到的分子折叠和弱TeTe相互作用是影响晶体包装和性能的关键特征.
- 了解伪对称和双胞胎关系对于准确的结构确定和解释很重要.
相关概念视频
02:44Oxidation of Alkenes: Syn Dihydroxylation with Osmium Tetraoxide
10.2K
Alkenes are converted to 1,2-diols or glycols through a process called dihydroxylation. It involves the addition of two hydroxyl groups across the double bond with two different stereochemical approaches, namely anti and syn. Dihydroxylation using osmium tetroxide progresses with syn stereochemistry.
10.2K
00:59Reactions at the Benzylic Position: Oxidation and Reduction
3.7K
The benzylic position describes the position of a carbon atom attached directly to a benzene ring. Benzene by itself does not undergo oxidation. In contrast, the benzylic carbon is quite reactive in the presence of strong oxidizing agents such as KMnO4 or H2CrO4. Therefore, alkylbenzenes are readily oxidized to benzoic acid, irrespective of the type of alkyl groups.
3.7K
02:04Oxidation of Alkenes: Anti Dihydroxylation with Peroxy Acids
5.8K
Diols are compounds with two hydroxyl groups. In addition to syn dihydroxylation, diols can also be synthesized through the process of anti dihydroxylation. The process involves treating an alkene with a peroxycarboxylic acid to form an epoxide. Epoxides are highly strained three-membered rings with oxygen and two carbons occupying the corners of an equilateral triangle. This step is followed by ring-opening of the epoxide in the presence of an aqueous acid to give a trans diol.
5.8K
03:00Preparation of Epoxides
7.7K
Overview
Epoxides result from alkene oxidation, which can be achieved by a) air, b) peroxy acids, c) hypochlorous acids, and d) halohydrin cyclization.
Epoxidation with Peroxy Acids
Epoxidation of alkenes via oxidation with peroxy acids involves the conversion of a carbon–carbon double bond to an epoxide using the oxidizing agent meta-chloroperoxybenzoic acid, commonly known as MCPBA. Since the O–O bond of peroxy acids is very weak, the addition of electrophilic oxygen of...
Epoxides result from alkene oxidation, which can be achieved by a) air, b) peroxy acids, c) hypochlorous acids, and d) halohydrin cyclization.
Epoxidation with Peroxy Acids
Epoxidation of alkenes via oxidation with peroxy acids involves the conversion of a carbon–carbon double bond to an epoxide using the oxidizing agent meta-chloroperoxybenzoic acid, commonly known as MCPBA. Since the O–O bond of peroxy acids is very weak, the addition of electrophilic oxygen of...
7.7K
01:27Cyclohexenones via Michael Addition and Aldol Condensation: The Robinson Annulation
2.2K
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2.2K
01:11ortho–para-Directing Activators: –CH3, –OH, –NH2, –OCH3
6.0K
All ortho–para directors, excluding halogens, are activating groups. These groups donate electrons to the ring, making the ring carbons electron-rich. Consequently, the reactivity of the aromatic ring towards electrophilic substitution increases. For instance, the nitration of anisole is about 10,000 times faster than the nitration of benzene. The electron-donating effect of the methoxy group in anisole activates the ortho and para positions on the ring and stabilizes the corresponding...
6.0K