Cargando…

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

The overall mol­ecular 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 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 m...

Descripción completa

Detalles Bibliográficos
Autores principales: Guseinov, Firudin I., Knyazev, Aleksandr V., Shuvalova, Elena V., Kobrakov, Konstantin I., Samigullina, Aida I., Atioğlu, Zeliha, Akkurt, Mehmet, Bhattarai, Ajaya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561204/
https://www.ncbi.nlm.nih.gov/pubmed/37817947
http://dx.doi.org/10.1107/S2056989023007946
_version_ 1785117870200455168
author Guseinov, Firudin I.
Knyazev, Aleksandr V.
Shuvalova, Elena V.
Kobrakov, Konstantin I.
Samigullina, Aida I.
Atioğlu, Zeliha
Akkurt, Mehmet
Bhattarai, Ajaya
author_facet Guseinov, Firudin I.
Knyazev, Aleksandr V.
Shuvalova, Elena V.
Kobrakov, Konstantin I.
Samigullina, Aida I.
Atioğlu, Zeliha
Akkurt, Mehmet
Bhattarai, Ajaya
author_sort Guseinov, Firudin I.
collection PubMed
description The overall mol­ecular 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 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.
format Online
Article
Text
id pubmed-10561204
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-105612042023-10-10 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 Guseinov, Firudin I. Knyazev, Aleksandr V. Shuvalova, Elena V. Kobrakov, Konstantin I. Samigullina, Aida I. Atioğlu, Zeliha Akkurt, Mehmet Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications The overall mol­ecular 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 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. International Union of Crystallography 2023-09-14 /pmc/articles/PMC10561204/ /pubmed/37817947 http://dx.doi.org/10.1107/S2056989023007946 Text en © Guseinov et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Guseinov, Firudin I.
Knyazev, Aleksandr V.
Shuvalova, Elena V.
Kobrakov, Konstantin I.
Samigullina, Aida I.
Atioğlu, Zeliha
Akkurt, Mehmet
Bhattarai, Ajaya
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561204/
https://www.ncbi.nlm.nih.gov/pubmed/37817947
http://dx.doi.org/10.1107/S2056989023007946
work_keys_str_mv AT guseinovfirudini synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate
AT knyazevaleksandrv synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate
AT shuvalovaelenav synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate
AT kobrakovkonstantini synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate
AT samigullinaaidai synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate
AT atiogluzeliha synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate
AT akkurtmehmet synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate
AT bhattaraiajaya synthesiscrystalstructureandhirshfeldsurfaceanalysisof2z2e223methoxy3phenylpropane12diylidenebishydrazine1carbothioamidedimethylformamidemonosolvate