2-Oxo-2H-chromen-4-yl 3,3-di-methyl-butano-ate 的含量已经超过了我们的预期
Valentin Bationo1, Eric Ziki2, Charles Bavouma Sombié3
1Laboratory of Molecular Chemistry and Materials, Research Team: Organic Chemistry and Phytochemistry, University Joseph KI-ZERBO, 03 BP 7021 Ouagadougou 03, Burkina Faso.
IUCrData
|June 7, 2024
概括
C15H16O4的晶体结构显示了由C-HO键连接的分子,形成 [100] 链. 这些链进一步通过弱 π-π 堆叠相互作用相互连接,影响晶体包装.
科学领域:
- 晶体工程公司 晶体工程公司
- 超分子化学 超分子化学
- 有机固态化学 有机固态化学
背景情况:
- 了解分子间力量对于设计晶体材料至关重要.
- 键和π-π堆叠是决定晶体结构的关键非共价相互作用.
- 固态中分子的特定排列会影响材料的特性.
研究的目的:
- 为了阐明标题化合物的晶体结构,C15H16O4.4.
- 识别和分析负责观察到的晶体包装的分子间相互作用.
- 了解键和π-π堆叠在超分子结构形成中的作用.
主要方法:
- 使用单晶X射线衍射来确定三维分子结构.
- 进行了分子间接触的分析,包括键 (C-HO) 和π-π堆叠.
- 确定相互作用的几何参数被量化.
主要成果:
- 成功确定了C15H16O4的晶体结构.
- 分子被组织成由C-HO键促进的[100]链.
- 这些链通过弱 π-π 堆叠相互作用进一步交叉连接,为整体晶格做出贡献.
结论:
- C15H16O4的晶体包装是由C-HO键和π-π堆叠的组合所支配的.
- 鉴定到的超分子排列突出了水晶工程中弱相互作用的重要性.
- 这些结构信息为进一步研究该化合物的物理和化学特性提供了基础.
相关概念视频
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
Regioselectivity and Stereochemistry of Acid-Catalyzed Hydration
8.4K
The rate of acid-catalyzed hydration of alkenes depends on the alkene's structure, as the presence of alkyl substituents at the double bond can significantly influence the rate.
8.4K
Molecules with Multiple Chiral Centers
11.6K
Molecules that possess multiple chiral centers can afford a large number of stereoisomers. For instance, while some molecules like 2-butanol have one chiral center, defined as a tetrahedral carbon atom with four different substituents attached, several molecules like butane-2,3-diol have multiple chiral centers. A simple formula to predict the number of stereoisomers possible for a molecule with n chiral centers is 2n. However, there can be a lower number where some of the stereoisomers are...
11.6K
Electrophilic 1,2- and 1,4-Addition of X2 to 1,3-Butadiene
2.4K
Electrophilic addition of halogens to alkenes proceeds via a cyclic halonium ion to form a 1,2-dihalide or a vicinal dihalide.
2.4K
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
Naming Enantiomers
20.3K
The naming of enantiomers employs the Cahn–Ingold–Prelog rules that involve assigning priorities to different substituent groups at a chiral center. Each enantiomer, being a distinct molecule, is assigned a unique name by the Cahn–Ingold–Prelog (CIP) rules, also called the R–S system. The prefix R- or S- attached to the chiral centers in an enantiomer is dependent on the spatial arrangement of the four substituents on the chiral center. The R–S system...
20.3K


