3,5,3′,5′-Tetramethyl-4,4′-bi(1H-pyrazolyl) hemihydrate

In the title compound, C10H14N4·0.5H2O, the amino H atom of one of the two pyrazole rings is disordered over its two N atoms in a 1:1 ratio. The pyrazole rings are aligned at 60.1 (1)°. In the crystal, two bipyrazolyl molecules are linked by an N&#8212...

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Bibliographic Details
Main Authors: Shouwen Jin, Yanfei Huang, Hao Fang, Tianyi Wang, Liangliang Ding
Format: Article
Language:English
Published: International Union of Crystallography 2012-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812037920
Description
Summary:In the title compound, C10H14N4·0.5H2O, the amino H atom of one of the two pyrazole rings is disordered over its two N atoms in a 1:1 ratio. The pyrazole rings are aligned at 60.1 (1)°. In the crystal, two bipyrazolyl molecules are linked by an N—H...N hydrogen bond, generating a dimer; the dimer is connected to the water molecule, which lies on a twofold rotation axis, resulting in the formation of a chain that makes an angle of ca 45.3 (1)° with the ab plane. The chains are cross-linked by N—H...O and O—H...N interactions, forming a three-dimensional network.
ISSN:1600-5368