Cargando…
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...
Autor principal: | |
---|---|
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 |
_version_ | 1782191347376062464 |
---|---|
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. |
format | Text |
id | pubmed-2979117 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT jiangxiujuan 4amino35bis2pyridyl4h124triazolebenzene123tricarboxylicacidwater112 |