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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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. |
format | Online Article Text |
id | pubmed-10483556 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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