Crystal structure and Hirshfeld surface analysis of (Z)-2-phenyl-4-((4,6,8-trimethylazulen-1-yl)methylene)oxazol-5(4H)-one

IF 0.4 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Revue Roumaine De Chimie Pub Date : 2023-10-23 DOI:10.33224/rrch.2022.67.10-12.08

Mihai RĂDUCĂ, Ciprian I. Raț, Mihaela CRISTEA

引用次数: 0

Abstract

The molecular structure of (Z)-2-phenyl-4-((4,6,8-trimethylazulen-1-yl)methylene)oxazol-5(4H)-one (1) was determined single-crystal X-ray diffraction. The crystal presents a monoclinic crystal system, space group P21/n, a = 7.0706(3) Å, b = 18.7978(7) Å, c = 13.7059(7) Å, β = 103.013(5) °, V = 1774.89(14) Å3. In the crystals of 1, are present strong π-π stacking interactions, with an average distance of 3.54 Å between centroids.

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(Z)-2-苯基-4-((4,6,8-三甲基唑烯-1-基)亚甲基)恶唑-5(4H)- 1的晶体结构和Hirshfeld表面分析

单晶x射线衍射测定了(Z)-2-苯基-4-((4,6,8-三甲基偶氮烯-1-基)亚甲基)恶唑-5(4H)- 1的分子结构。该晶体为单斜晶系，空间群P21/n, a = 7.0706(3) Å， b = 18.7978(7) Å， c = 13.7059(7) Å， β = 103.013(5)°，V = 1774.89(14) Å3。在1的晶体中，存在很强的π-π堆积相互作用，质心之间的平均距离为3.54 Å。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Revue Roumaine De Chimie 化学-化学综合

CiteScore

0.80

自引率

20.00%

发文量

审稿时长

>12 weeks

期刊介绍： The journal Revue Roumaine de Chimie (Roumanian Journal of Chemistry) was founded in 1956 under the name Revue de Chimie. Acad. R. P. R. from 1964, the title was modified in Revue Roumaine de Chimie (preserving the numbering of the volumes started in 1956). In 1997, the English translation of the title – Roumanian Journal of Chemistry – was also included on each issue.