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Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine

The title compound, C(19)H(19)N(5)O(2), was prepared by the reaction of 3-amino-5-(pyridin-3-yl)-1,2,4-triazole with acetone and 2-hy­droxy-3-eth­oxy­benzaldehyde. It crystallizes from ethanol in a tetra­gonal space group, with one mol­ecule in the asymmetric unit. The 1,2,4-triazole five-membered r...

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Autores principales: Aydemir, Ercan, Kansiz, Sevgi, Gumus, Mustafa Kemal, Gorobets, Nikolay Yu., Dege, Necmi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947805/
https://www.ncbi.nlm.nih.gov/pubmed/29765725
http://dx.doi.org/10.1107/S2056989018002621
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author Aydemir, Ercan
Kansiz, Sevgi
Gumus, Mustafa Kemal
Gorobets, Nikolay Yu.
Dege, Necmi
author_facet Aydemir, Ercan
Kansiz, Sevgi
Gumus, Mustafa Kemal
Gorobets, Nikolay Yu.
Dege, Necmi
author_sort Aydemir, Ercan
collection PubMed
description The title compound, C(19)H(19)N(5)O(2), was prepared by the reaction of 3-amino-5-(pyridin-3-yl)-1,2,4-triazole with acetone and 2-hy­droxy-3-eth­oxy­benzaldehyde. It crystallizes from ethanol in a tetra­gonal space group, with one mol­ecule in the asymmetric unit. The 1,2,4-triazole five-membered ring is planar (maximum deviation = 0.0028 Å). The pyridine and phenyl rings are also planar with maximum deviations of 0.0091 and 0.0094 Å, respectively. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into supra­molecular chains propagating along the c-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots have been used to analyse the inter­molecular inter­actions present in the crystal.
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spelling pubmed-59478052018-05-15 Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine Aydemir, Ercan Kansiz, Sevgi Gumus, Mustafa Kemal Gorobets, Nikolay Yu. Dege, Necmi Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(19)H(19)N(5)O(2), was prepared by the reaction of 3-amino-5-(pyridin-3-yl)-1,2,4-triazole with acetone and 2-hy­droxy-3-eth­oxy­benzaldehyde. It crystallizes from ethanol in a tetra­gonal space group, with one mol­ecule in the asymmetric unit. The 1,2,4-triazole five-membered ring is planar (maximum deviation = 0.0028 Å). The pyridine and phenyl rings are also planar with maximum deviations of 0.0091 and 0.0094 Å, respectively. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into supra­molecular chains propagating along the c-axis direction. Hirshfeld surface analysis and two-dimensional fingerprint plots have been used to analyse the inter­molecular inter­actions present in the crystal. International Union of Crystallography 2018-02-20 /pmc/articles/PMC5947805/ /pubmed/29765725 http://dx.doi.org/10.1107/S2056989018002621 Text en © Aydemir et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Aydemir, Ercan
Kansiz, Sevgi
Gumus, Mustafa Kemal
Gorobets, Nikolay Yu.
Dege, Necmi
Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine
title Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine
title_full Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine
title_fullStr Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine
title_short Crystal structure and Hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine
title_sort crystal structure and hirshfeld surface analysis of 7-eth­oxy-5-methyl-2-(pyridin-3-yl)-11,12-di­hydro-5,11-methano­[1,2,4]triazolo[1,5-c][1,3,5]benzoxadiazo­cine
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947805/
https://www.ncbi.nlm.nih.gov/pubmed/29765725
http://dx.doi.org/10.1107/S2056989018002621
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