New ε-Polymorphic Modification of 4-Nitrophenyl-Substituted Nitronylnitroxyl

New ε-Polymorphic Modification of 4-Nitrophenyl-Substituted Nitronylnitroxyl Научная публикация

Журнал

Journal of Structural Chemistry
ISSN: 1573-8779 , E-ISSN: 0022-4766

Вых. Данные

Год: 2024, Том: 65, Номер: 3, Страницы: 619-629 Страниц : 11 DOI: 10.1134/s0022476624030168

Авторы

Fedyanin I.V. ¹ , Samigullina A.I. ² , Tretyakov E.V. ²

Организации

1	Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow, Russia
2	Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia

A new ε-polymorph of 4,4,5,5-tetramethyl-2-(4-nitrophenyl)-4,5-dihydro-1H-imidazol-3-oxide-1-oxyl is prepared and characterized by single-crystal XRD. The arrays of XRD data have been accumulated and the structures of known α–γ-polymorphs of this paramagnetic are solved under the same conditions. The Hirshfeld surfaces of the crystal structures of the studied polymorphs are analyzed qualitatively and quantitatively. It is shown that the known α–δ-polymorphs contain a supramolecular associate in the form of a centrosymmetric dimer whose molecules are connected by C–H⋯O hydrogen bonds. At the same time, only the ε-polymorph contains π-bonded infinite stacks of nitrophenyl substituents, which in turn determine the formation of short distances between oxygen atoms of nitroxide groups (3.508(2) Å and 3.627(2) Å).

Fedyanin I.V. , Samigullina A.I. , Tretyakov E.V.
New ε-Polymorphic Modification of 4-Nitrophenyl-Substituted Nitronylnitroxyl
Journal of Structural Chemistry. 2024. V.65. N3. P.619-629. DOI: 10.1134/s0022476624030168 WOS Scopus OpenAlex

Web of science:	WOS:001303652800009
Scopus:	2-s2.0-85191764698
OpenAlex:	W4396522105

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