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4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)

Cocrystallization of 4-amino-3,5-bis­(2-pyrid­yl)-1,2,4-triazole (2-bpt) with hemimellitic acid (benzene-1,2,3-tricarboxylic acid) dihydrate (H(3)HMA·2H(2)O) produces the supra­molecular title compound, C(12)H(10)N(6)·C(9)H(6)O(6)·2H(2)O. Inter­molecular N—H⋯N hydrogen bonds are observed between the...

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Autor principal: Jiang, Xiu-Juan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979117/
https://www.ncbi.nlm.nih.gov/pubmed/21579130
http://dx.doi.org/10.1107/S1600536810010470
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author Jiang, Xiu-Juan
author_facet Jiang, Xiu-Juan
author_sort Jiang, Xiu-Juan
collection PubMed
description Cocrystallization of 4-amino-3,5-bis­(2-pyrid­yl)-1,2,4-triazole (2-bpt) with hemimellitic acid (benzene-1,2,3-tricarboxylic acid) dihydrate (H(3)HMA·2H(2)O) produces the supra­molecular title compound, C(12)H(10)N(6)·C(9)H(6)O(6)·2H(2)O. Inter­molecular N—H⋯N hydrogen bonds are observed between the terminal pyridyl and amino groups of the 2-bpt molecule and the dihedral angles between the central ring and the pendant pyridine rings are 3.4 (7) and 13.8 (7)°. In the structure, homosynthons of graph set R (2) (2)(8) are observed to form centrosymmetric H(3)HMA dimers, which are extended into a two-dimensional supra­molecular layer via inter­molecular O—H⋯N and C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 3.541 (3) Å]. In addition, inter­layer uncoordinated water mol­ecules connect the layers through O—H⋯O hydrogen bonds, generating a three-dimensional network.
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spelling pubmed-29791172010-12-30 4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2) Jiang, Xiu-Juan Acta Crystallogr Sect E Struct Rep Online Organic Papers Cocrystallization of 4-amino-3,5-bis­(2-pyrid­yl)-1,2,4-triazole (2-bpt) with hemimellitic acid (benzene-1,2,3-tricarboxylic acid) dihydrate (H(3)HMA·2H(2)O) produces the supra­molecular title compound, C(12)H(10)N(6)·C(9)H(6)O(6)·2H(2)O. Inter­molecular N—H⋯N hydrogen bonds are observed between the terminal pyridyl and amino groups of the 2-bpt molecule and the dihedral angles between the central ring and the pendant pyridine rings are 3.4 (7) and 13.8 (7)°. In the structure, homosynthons of graph set R (2) (2)(8) are observed to form centrosymmetric H(3)HMA dimers, which are extended into a two-dimensional supra­molecular layer via inter­molecular O—H⋯N and C—H⋯O hydrogen bonds and π–π stacking inter­actions [centroid–centroid distance = 3.541 (3) Å]. In addition, inter­layer uncoordinated water mol­ecules connect the layers through O—H⋯O hydrogen bonds, generating a three-dimensional network. International Union of Crystallography 2010-04-14 /pmc/articles/PMC2979117/ /pubmed/21579130 http://dx.doi.org/10.1107/S1600536810010470 Text en © Xiu-Juan Jiang 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Jiang, Xiu-Juan
4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
title 4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
title_full 4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
title_fullStr 4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
title_full_unstemmed 4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
title_short 4-Amino-3,5-bis­(2-pyrid­yl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
title_sort 4-amino-3,5-bis­(2-pyrid­yl)-4h-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979117/
https://www.ncbi.nlm.nih.gov/pubmed/21579130
http://dx.doi.org/10.1107/S1600536810010470
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