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

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 (H3HMA·2H2O) produces the supramolecular title compound, C12H10N6·C9H6O6·2H2O. Intermolecular N—H...N hydrog...

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Main Author: Xiu-Juan Jiang
Format: Article
Language:English
Published: International Union of Crystallography 2010-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810010470
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spelling doaj-b3d9c57f53c848e69b46451cebc241072020-11-24T21:55:29ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-05-01665o1075o107610.1107/S16005368100104704-Amino-3,5-bis(2-pyridyl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)Xiu-Juan JiangCocrystallization of 4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole (2-bpt) with hemimellitic acid (benzene-1,2,3-tricarboxylic acid) dihydrate (H3HMA·2H2O) produces the supramolecular title compound, C12H10N6·C9H6O6·2H2O. 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 R22(8) are observed to form centrosymmetric H3HMA 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. http://scripts.iucr.org/cgi-bin/paper?S1600536810010470
collection DOAJ
language English
format Article
sources DOAJ
author Xiu-Juan Jiang
spellingShingle Xiu-Juan Jiang
4-Amino-3,5-bis(2-pyridyl)-4H-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
Acta Crystallographica Section E
author_facet Xiu-Juan Jiang
author_sort Xiu-Juan Jiang
title 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_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_sort 4-amino-3,5-bis(2-pyridyl)-4h-1,2,4-triazole–benzene-1,2,3-tricarboxylic acid–water (1/1/2)
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2010-05-01
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 (H3HMA·2H2O) produces the supramolecular title compound, C12H10N6·C9H6O6·2H2O. 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 R22(8) are observed to form centrosymmetric H3HMA 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536810010470
work_keys_str_mv AT xiujuanjiang 4amino35bis2pyridyl4h124triazoleamp8211benzene123tricarboxylicacidamp8211water112
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