Two Crystal Modifications of the Cocrystal of 5-(hydroxyimino)-1H-Imidazole-3-Oxide with 3,4-Diaminoglyoxime

Two Crystal Modifications of the Cocrystal of 5-(hydroxyimino)-1H-Imidazole-3-Oxide with 3,4-Diaminoglyoxime Full article

Journal

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

Output data

Year: 2025, Volume: 66, Number: 12, Pages: 2543-2553 Pages count : 11 DOI: 10.1134/s0022476625120091

Authors

Samigullina A.I. ¹ , Pronina V.M. ¹ , Afanaseva K.A. ^2,1 , Shuvalova E.V. ¹ , Glukhov L.M. ¹ , Stepanov A.V. ¹ , Guseinov F.I. ^2,1

Affiliations

1	Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia
2	Kosygin State University of Russia, Moscow, Russia

Two crystal modifications of the cocrystal of (Z)-4-amino-5-(hydroxyimino)-2,2-dimethyl-2,5-dihydro-1H-imidazole-3-oxide with 3,4-diaminoglyoxime in the 2:1 stoichiometric component ratio are studied by single-crystal XRD. It is established molecules of both modifications demonstrate highly similar geometric parameters. Noncovalent bonding in the crystals of both forms is analyzed comprehensively by constructing Hirshfeld surfaces. It is shown that 1H-imidazole-3-oxide chains are rearranged, the fraction of N–H⋯N interactions is diminished and their character is changed upon the introduction of a water molecule into the structure of one modification, while its calculated density and the coefficient of molecular packing in the crystal are not changed significantly.

Samigullina A.I. , Pronina V.M. , Afanaseva K.A. , Shuvalova E.V. , Glukhov L.M. , Stepanov A.V. , Guseinov F.I.
Two Crystal Modifications of the Cocrystal of 5-(hydroxyimino)-1H-Imidazole-3-Oxide with 3,4-Diaminoglyoxime
Journal of Structural Chemistry. 2025. V.66. N12. P.2543-2553. DOI: 10.1134/s0022476625120091 WOS Scopus OpenAlex

Submitted:	Jul 15, 2025
Published online:	Jan 10, 2026

Web of science:	WOS:001659042800012
Scopus:	2-s2.0-105027284338
OpenAlex:	W7120942307

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