Conformational Isomorphism and Structure Determinants in the Crystal Structure of (2R,3R)-5-(2-(chloroacetoxy)-2-(3,4-diacetoxyphenyl)-4-Oxochroman-3,7-Diyl Diacetate

IF 1.4 4区化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Structural Chemistry Pub Date : 2025-10-09 DOI:10.1134/S0022476625090070

A. M. Banaru, M. P. Koroteev, A. O. Pozdeev, V. A. Bataev, A. M. Koroteev, K. A. Lysenko

引用次数: 0

Abstract

(2R,3R)-5-(2-(Chloroacetoxy)-2-(3,4-diacetoxyphenyl)-4-oxochroman-3,7-diyl diacetate containing two symmetrically independent molecules in the crystal unit cell is analyzed by single crystal X-ray diffraction. Molecular coordination numbers are studied in the crystal structure together with the topology of nets of intermolecular contacts. Intermolecular interaction energies are calculated and Hirshfeld surfaces of symmetrically independent molecules are analyzed.

Abstract Image

查看原文本刊更多论文

（2R,3R）-5-(2-（氯乙酰氧基）-2-（3,4-二乙酰氧基苯基）-4-氧罗马-3,7-二乙酸二酯晶体结构的构象同构性和结构决定因素

用单晶x射线衍射分析了晶体单元胞中含有两个对称独立分子的(2R,3R)-5-(2-（氯乙酰氧基）-2-（3,4-二乙酰氧基苯基）-4-氧铬-3,7-二乙酸二酯。研究了晶体结构中的分子配位数以及分子间接触网的拓扑结构。计算了分子间相互作用能，分析了对称独立分子的赫希菲尔德曲面。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Journal of Structural Chemistry 化学-无机化学与核化学

CiteScore

1.60

自引率

12.50%

发文量

142

审稿时长

8.3 months

期刊介绍： Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.