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Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate

The title compound, C(11)H(3)I(3)N(4)O(4)·C(2)H(6)O, crystallizes in the triclinic P [Image: see text] space group with one independent mol­ecule and one ethanol solvent mol­ecule in the asymmetric unit. The benzene ring and the methyl­carbonohydrazonoyl dicyanide group of the main mol­ecule makes a...

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Autores principales: Aliyeva, Fargana S., Mammadova, Gunay Z., Akkurt, Mehmet, Çelikesir, Sevim Türktekin, 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/PMC10483556/
https://www.ncbi.nlm.nih.gov/pubmed/37693669
http://dx.doi.org/10.1107/S205698902300676X
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author Aliyeva, Fargana S.
Mammadova, Gunay Z.
Akkurt, Mehmet
Çelikesir, Sevim Türktekin
Bhattarai, Ajaya
author_facet Aliyeva, Fargana S.
Mammadova, Gunay Z.
Akkurt, Mehmet
Çelikesir, Sevim Türktekin
Bhattarai, Ajaya
author_sort Aliyeva, Fargana S.
collection PubMed
description The title compound, C(11)H(3)I(3)N(4)O(4)·C(2)H(6)O, crystallizes in the triclinic P [Image: see text] space group with one independent mol­ecule and one ethanol solvent mol­ecule in the asymmetric unit. The benzene ring and the methyl­carbonohydrazonoyl dicyanide group of the main mol­ecule makes a dihedral angle of 57.91 (16)°. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link pairs of mol­ecules, forming dimers with R (2) (2)(14) motifs. These dimers are connected by O—H⋯O hydrogen bonds into chains along the a-axis direction, forming R (2) (2)(16) ring motifs. Further O—H⋯O inter­actions involving the ethanol solvent mol­ecule connect the chains into a three-dimensional network. In addition, C—I⋯π inter­actions are observed. The inter­molecular inter­actions in the crystal structure were qu­anti­fied and analysed using Hirshfeld surface analysis.
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spelling pubmed-104835562023-09-08 Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate Aliyeva, Fargana S. Mammadova, Gunay Z. Akkurt, Mehmet Çelikesir, Sevim Türktekin Bhattarai, Ajaya Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(11)H(3)I(3)N(4)O(4)·C(2)H(6)O, crystallizes in the triclinic P [Image: see text] space group with one independent mol­ecule and one ethanol solvent mol­ecule in the asymmetric unit. The benzene ring and the methyl­carbonohydrazonoyl dicyanide group of the main mol­ecule makes a dihedral angle of 57.91 (16)°. In the crystal, O—H⋯O and N—H⋯O hydrogen bonds link pairs of mol­ecules, forming dimers with R (2) (2)(14) motifs. These dimers are connected by O—H⋯O hydrogen bonds into chains along the a-axis direction, forming R (2) (2)(16) ring motifs. Further O—H⋯O inter­actions involving the ethanol solvent mol­ecule connect the chains into a three-dimensional network. In addition, C—I⋯π inter­actions are observed. The inter­molecular inter­actions in the crystal structure were qu­anti­fied and analysed using Hirshfeld surface analysis. International Union of Crystallography 2023-08-04 /pmc/articles/PMC10483556/ /pubmed/37693669 http://dx.doi.org/10.1107/S205698902300676X Text en © Aliyeva 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
Aliyeva, Fargana S.
Mammadova, Gunay Z.
Akkurt, Mehmet
Çelikesir, Sevim Türktekin
Bhattarai, Ajaya
Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate
title Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate
title_full Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate
title_fullStr Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate
title_full_unstemmed Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate
title_short Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate
title_sort synthesis, crystal structure and hirshfeld surface analysis of 5-[2-(di­cyano­methyl­idene)hydrazin-1-yl]-2,4,6-tri­iodo­isophthalic acid ethanol monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483556/
https://www.ncbi.nlm.nih.gov/pubmed/37693669
http://dx.doi.org/10.1107/S205698902300676X
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