Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate

Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate Full article

Journal

Acta Crystallographica Section E: Crystallographic Communications
ISSN: 2056-9890

Output data

Year: 2023, Volume: 79, Number: 10, Pages: 910-915 Pages count : 6 DOI: 10.1107/s2056989023007946

Authors

Guseinov Firudin I. ^1,2 , Knyazev Aleksandr V. ^3,2 , Shuvalova Elena V. ² , Kobrakov Konstantin I. ¹ , Samigullina Aida I. ² , Atioğlu Zeliha ⁴ , Akkurt Mehmet ⁵ , Bhattarai Ajaya ⁶

Affiliations

1	Kosygin State University of Russia, 117997 Moscow, Russian Federation
2	N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation
3	MIREA, Russian Technology University, Lomonosov Institute of Fine Chemical Technology, Moscow, 119571, Russian Federation
4	Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, Türkiye
5	Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye
6	Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal

The overall molecular configuration of the title compound, C12H16N6OS2·C3H7NO, is stabilized in the solid state by intramolecular C—H⋯N, C—H⋯O, N—H⋯N and N—H⋯O interactions, forming S(5) ring motifs. In the crystal, molecules are linked to each other and solvent dimethylformamide molecules by N—H⋯S, N—H⋯O, C—H⋯O and C—H⋯S hydrogen bonds, forming a three dimensional network. The phenyl ring of the title compound is disordered over two sites with an occupancy ratio of 0.57 (4):0.43 (4). A Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions, indicating that the most important contributions to the crystal packing are from H⋯H (38.7%), S⋯H / H⋯S (24.0%), C⋯H / H⋯C (18.5%) and N⋯H / H⋯N (9.8%) interactions.

Guseinov F.I. , Knyazev A.V. , Shuvalova E.V. , Kobrakov K.I. , Samigullina A.I. , Atioğlu Z. , Akkurt M. , Bhattarai A.
Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate
Acta Crystallographica Section E: Crystallographic Communications. 2023. V.79. N10. P.910-915. DOI: 10.1107/s2056989023007946 WOS Scopus Scopus OpenAlex

Web of science:	WOS:001086894900009
Scopus:	2-s2.0-85174526479 \| 2-s2.0-85174500103
OpenAlex:	W4386744252

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