3 - 甲基 - 2 - 4 - 甲基 - - 氧) 酸
1School of Chemical Engineering and Pharmacy, Wuhan Institute of Technology, Wuhan, Hubei 430205, People's Republic of China.
IUCrData
|November 8, 2023
概括
这项研究详细介绍了一种化合物的晶体结构,揭示了其芳香环的近垂直排列. 该分子通过其固态中的键形成二元体.
科学领域:
- 晶体学 晶体学是指结晶学.
- 有机化学 有机化学
- 分子结构分子结构
背景情况:
- 了解分子相互作用在化学中至关重要.
- 晶体结构分析提供了对分子间力量的洞察.
研究的目的:
- 为了阐明标题化合物 (C15H14O3) 的晶体结构.
- 为了研究分子间相互作用和固态中的包装.
主要方法:
- 采用了单晶X射线衍射方法.
- 分析了晶体结构,以确定分子几何学和结合.
主要成果:
- 芳香环之间的二面角被确定为86.7~9°.
- 观察到碳酸倒置二次体,由O-HO气键促进.
- 该化合物表现出受结合影响的特定晶体包装.
结论:
- 晶体结构揭示了芳香环的独特空间布局.
- 键在固态分子的自我组装中起着重要作用.
- 这些发现有助于理解有机晶体中的结构属性关系.
相关概念视频
NMR Spectroscopy of Benzene Derivatives
8.3K
Simple unsubstituted benzene has six aromatic protons, all chemically equivalent. Therefore, benzene exhibits only a singlet peak at δ 7.3 ppm in the 1H NMR spectrum. The observed shift is far downfield because the aromatic ring current strongly deshields the protons. Any substitution on the benzene ring makes the aromatic protons nonequivalent, and the protons split each other. The peak is, therefore, no longer a singlet and the splitting pattern and their associated coupling...
8.3K
Acidity and Basicity of Alcohols and Phenols
19.1K
Like water, alcohols are weak acids and bases. This is attributed to the polarization of the O–H bond making the hydrogen partially positive. Moreover, the electron pairs on the oxygen atom of alcohol make it both basic and nucleophilic. Protonation of an alcohol converts hydroxide, a poor leaving group, into water—a good one. The two acid–base equilibria corresponding to ethanol are depicted below.
19.1K
Nomenclature of Aromatic Compounds with Multiple Substituents
7.9K
When more than one substituent is present on the benzene ring, the IUPAC nomenclature depends on the number of substituents present.
For disubstituted benzene derivatives, with two groups attached to the benzene ring, three constitutional isomers are possible. For example, consider dimethyl benzene, often called xylene, where the second methyl group can be substituted at the second, third, or fourth carbon. The relative position of the substituents is represented by prefixes ortho, meta, or...
For disubstituted benzene derivatives, with two groups attached to the benzene ring, three constitutional isomers are possible. For example, consider dimethyl benzene, often called xylene, where the second methyl group can be substituted at the second, third, or fourth carbon. The relative position of the substituents is represented by prefixes ortho, meta, or...
7.9K
Nomenclature of Carboxylic Acid Derivatives: Acid Halides, Esters, and Acid Anhydrides
4.3K
Naming Acid Halides
The IUPAC and common names of acid halides are derived from the corresponding carboxylic acids, by changing “ic acid” to “yl halide.” For example, as shown below, the IUPAC name ethanoyl chloride is derived from ethanoic acid, and the common name, acetyl chloride, is obtained from acetic acid.
The IUPAC and common names of acid halides are derived from the corresponding carboxylic acids, by changing “ic acid” to “yl halide.” For example, as shown below, the IUPAC name ethanoyl chloride is derived from ethanoic acid, and the common name, acetyl chloride, is obtained from acetic acid.
4.3K
Phase I Reactions: Oxidation of Aliphatic and Aromatic Carbon-Containing Systems
209
Phase I biotransformation reactions are integral to drug metabolism, predominantly involving oxidative, reductive, and hydrolytic transformations. Chief among these are oxidative reactions, which enhance the hydrophilicity of xenobiotics and introduce polar functional groups to facilitate their elimination from the body.
Oxidation reactions are fundamental in aromatic carbon-containing systems. An example is the hydroxylation of phenobarbital, a process that transforms it into...
Oxidation reactions are fundamental in aromatic carbon-containing systems. An example is the hydroxylation of phenobarbital, a process that transforms it into...
209
Nomenclature of Aromatic Compounds with a Single Substituent
8.2K
Benzene is the simplest aromatic hydrocarbon or arene. The IUPAC names for simple monosubstituted benzene derivatives are derived by adding the substituent's name as a prefix to the parent benzene. For example, halobenzene, where the halogen could be fluoro (F), chloro (Cl), bromo (Br), and iodo (I).
8.2K


