N. A. Bakuleva, B. V. Lichitskii, A. I. Samigullina, E. V. Tretyakov
{"title":"Synthesis, Molecular and Crystal Structures of 4-Oxo-1,2-Dihydro-4H-Pyrrolo[3,2,1-ij]Quinolin-5-yl)-Substituted Nitronylnitroxyl","authors":"N. A. Bakuleva, B. V. Lichitskii, A. I. Samigullina, E. V. Tretyakov","doi":"10.1134/S0022476625080086","DOIUrl":null,"url":null,"abstract":"<p>A new nitronylnitroxyl radical 2-(4-oxo-1,2-dihydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-5-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1<i>H</i>-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.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"66 8","pages":"1606 - 1612"},"PeriodicalIF":1.4000,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Structural Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1134/S0022476625080086","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
引用次数: 0
Abstract
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.
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.