1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate
The asymmetric unit of the title compound, C10H8N6·2H2O, comprises half the organic species, the molecule being completed by inversion symmetry, and one water molecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water molecules form O—H⋯N hyd...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414318/ |
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pubmed-3414318 |
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pubmed-34143182012-08-17 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate Wang, Xiu-Guang Li, Jian-Hui Ding, Bin Du, Gui-Xiang Organic Papers The asymmetric unit of the title compound, C10H8N6·2H2O, comprises half the organic species, the molecule being completed by inversion symmetry, and one water molecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water molecules form O—H⋯N hydrogen bonds with N-atom acceptors of the triazole rings. C—H⋯N hydrogen bonds are also observed, giving a three-dimensional framework. International Union of Crystallography 2012-07-10 /pmc/articles/PMC3414318/ /pubmed/22904851 http://dx.doi.org/10.1107/S1600536812029273 Text en © Wang et al. 2012 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Wang, Xiu-Guang Li, Jian-Hui Ding, Bin Du, Gui-Xiang |
| spellingShingle |
Wang, Xiu-Guang Li, Jian-Hui Ding, Bin Du, Gui-Xiang 1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate |
| author_facet |
Wang, Xiu-Guang Li, Jian-Hui Ding, Bin Du, Gui-Xiang |
| author_sort |
Wang, Xiu-Guang |
| title |
1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate |
| title_short |
1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate |
| title_full |
1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate |
| title_fullStr |
1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate |
| title_full_unstemmed |
1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate |
| title_sort |
1,4-bis(4h-1,2,4-triazol-4-yl)benzene dihydrate |
| description |
The asymmetric unit of the title compound, C10H8N6·2H2O, comprises half the organic species, the molecule being completed by inversion symmetry, and one water molecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water molecules form O—H⋯N hydrogen bonds with N-atom acceptors of the triazole rings. C—H⋯N hydrogen bonds are also observed, giving a three-dimensional framework. |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414318/ |
| _version_ |
1611548399036792832 |