Synthesis, crystal structure and Hirshfeld surface analysis of (2 Z ,2' E )-2,2'-(3-meth-oxy-3-phenylpropane-1,2-diyl-idene)bis-(hydrazine-1-carbo-thioamide) di-methyl-formamide monosolvate.

Autor: Guseinov FI; Kosygin State University of Russia, 117997 Moscow, Russian Federation.; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation., Knyazev AV; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.; MIREA, Russian Technology University, Lomonosov Institute of Fine Chemical Technology, Moscow, 119571, Russian Federation., Shuvalova EV; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation., Kobrakov KI; Kosygin State University of Russia, 117997 Moscow, Russian Federation., Samigullina AI; N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation., Atioğlu Z; Department of Aircraft Electrics and Electronics, School of Applied Sciences, Cappadocia University, Mustafapaşa, 50420 Ürgüp, Nevşehir, Türkiye., Akkurt M; Department of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, Türkiye., Bhattarai A; Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal.
Jazyk: angličtina
Zdroj: Acta crystallographica. Section E, Crystallographic communications [Acta Crystallogr E Crystallogr Commun] 2023 Sep 14; Vol. 79 (Pt 10), pp. 910-915. Date of Electronic Publication: 2023 Sep 14 (Print Publication: 2023).
DOI: 10.1107/S2056989023007946
Abstrakt: The overall mol-ecular configuration of the title compound, C 12 H 16 N 6 OS 2 ·C 3 H 7 NO, is stabilized in the solid state by intra-molecular C-H⋯N, C-H⋯O, N-H⋯N and N-H⋯O inter-actions, forming S (5) ring motifs. In the crystal, mol-ecules are linked to each other and solvent di-methyl-formamide mol-ecules 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 qu-antify the contributions of the different inter-molecular inter-actions, 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%) inter-actions.
(© Guseinov et al. 2023.)
Databáze: MEDLINE
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