Unknown

Dataset Information

0

1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate.

ABSTRACT: The asymmetric unit of the title compound, C(10)H(8)N(6)·2H(2)O, comprises half the organic species, the mol-ecule being completed by inversion symmetry, and one water mol-ecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2?(2)°. The water mol-ecules 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.

SUBMITTER: Wang XG 

PROVIDER: S-EPMC3414318 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

Json Xml
altmetric image

Publications

1,4-Bis(4H-1,2,4-triazol-4-yl)benzene dihydrate.

Wang Xiu-Guang XG   Li Jian-Hui JH   Ding Bin B   Du Gui-Xiang GX  

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

The asymmetric unit of the title compound, C(10)H(8)N(6)·2H(2)O, comprises half the organic species, the mol-ecule being completed by inversion symmetry, and one water mol-ecule. The dihedral angle between the 1,2,4-triazole ring and the central benzene ring is 32.2 (2)°. The water mol-ecules 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. ...[more]

Similar Datasets

Unknown 2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.
| S-EPMC3247355 | biostudies-literature
Unknown 2,6-Bis(4H-1,2,4-triazol-4-yl)pyridine dihydrate.
| S-EPMC3151751 | biostudies-literature
Unknown 1,4-Bis(5-methyl-1H-1,2,4-triazol-3-yl)benzene tetra-hydrate.
| S-EPMC3089122 | biostudies-literature
Unknown Bis(4H-1,2,4-triazol-3-yl)disulfane.
| S-EPMC2915304 | biostudies-literature
Unknown The triclinic form of di-?-aqua-bis-[diaqua-bis-(thio-cyanato-?N)iron(II)]-1,4-bis-(4H-1,2,4-triazol-4-yl)benzene (1/3).
| S-EPMC3414109 | biostudies-literature
Unknown Poly[bis-[?(2)-1,4-bis-(1,2,4-triazol-1-yl-meth-yl)benzene-?N:N]bis(nitrito-?O)cobalt(II)].
| S-EPMC2980217 | biostudies-literature
Unknown Bis{4-[(4H-1,2,4-triazol-4-yl)iminomethyl]pyridinium} diaquapentanitratocerate(III).
| S-EPMC2968024 | biostudies-literature
Unknown Poly[bis-[?-1,4-bis-(1,2,4-triazol-1-ylmeth-yl)benzene-?N:N]dichloridomanganese(II)].
| S-EPMC3007432 | biostudies-other
Unknown Tetra-aqua-bis-[4-(4H-1,2,4-triazol-4-yl)benzoato-?N]copper(II) dihydrate.
| S-EPMC3120514 | biostudies-other
Unknown 2-(4H-1,2,4-Triazol-4-yl)phenol.
| S-EPMC3007949 | biostudies-literature