The asymmetric unit of the title compound, C(8)H(6)N(8)·2H(2)O, contains one half-mol-ecule, with the benzene ring on a centre of symmetry, and two uncoordinated water mol-ecules. The benzene ring is oriented at a dihedral angle of 34.43â (12)° with respect to the tetra-zole ring. Strong O-Hâ¯N hydrogen bonds link the water mol-ecules to the N atoms of the tetra-zole ring. In the crystal structure, strong inter-molecular O-Hâ¯O and O-Hâ¯N hydrogen bonds link the mol-ecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.
1,2-Bis(1H-tetra-zol-5-yl)benzene dihydrate.
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作者:Xu Hai-Jun, Pan Yi-Jie, Cui Li-Jing
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2009 | 起止号: | 2009 May 20; 65(Pt 6):o1331 |
| doi: | 10.1107/S1600536809018224 | ||
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