4-氧-1,2-二氢- 4h -吡咯[3,2,1-ij]喹啉-5-基取代硝基硝基的合成、分子结构和晶体结构

IF 1.4 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR
N. A. Bakuleva, B. V. Lichitskii, A. I. Samigullina, E. V. Tretyakov
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引用次数: 0

摘要

通过乙醛与邻苯二胺缩合,1,3-二羟基咪唑氧化得到新的硝基硝基自由基2-(4-氧-1,2-二氢- 4h -pyrrolo[3,2,1-ij]喹啉-5-基)-4,4,5,5-四甲基-4,5-二氢- 1h -咪唑-3-氧化物-1-氧基。自由基的分子和晶体结构由x射线衍射测定。结果表明,自由基在单晶胞的不对称单元中与具有相同几何形状的两个分子结晶。晶体化合物具有特殊的结构,因为分子包含两种不同性质的组成部分。晶体中主要的分子间相互作用是C-H⋯O和C-H⋯π。基于Hirshfeld表面构建的两种分子的二维指纹图谱由于晶体环境相似而具有相似的形态。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Synthesis, Molecular and Crystal Structures of 4-Oxo-1,2-Dihydro-4H-Pyrrolo[3,2,1-ij]Quinolin-5-yl)-Substituted Nitronylnitroxyl

Synthesis, Molecular and Crystal Structures of 4-Oxo-1,2-Dihydro-4H-Pyrrolo[3,2,1-ij]Quinolin-5-yl)-Substituted Nitronylnitroxyl

Synthesis, Molecular and Crystal Structures of 4-Oxo-1,2-Dihydro-4H-Pyrrolo[3,2,1-ij]Quinolin-5-yl)-Substituted Nitronylnitroxyl

A new nitronylnitroxyl radical 2-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyle is obtained by condensing aldehyde with vicinal bis(hydroxylamine) followed by 1,3-dihydroxyimidazolidine oxidation. The molecular and crystal structures of the radical is determined by X-ray diffraction. It is shown that the radical crystallizes with two molecules in the asymmetric unit of the unit cell, which have the same geometry. The crystalline compound has a specific architecture since the molecule includes two constituent moieties of different nature. The main intermolecular interactions are C–H⋯O and C–H⋯π in the crystal. The 2D fingerprint plots of two molecules constructed based on Hirshfeld surfaces have similar morphologies due to similar crystalline environments.

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来源期刊
Journal of Structural Chemistry
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.
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