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3,5,3',5'-Tetra-methyl-4,4'-bi(1H-pyrazol-yl) hemihydrate.

ABSTRACT: In the title compound, C(10)H(14)N(4)·0.5H(2)O, 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 mol-ecules are linked by an N-H?N hydrogen bond, generating a dimer; the dimer is connected to the water mol-ecule, 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 inter-actions, forming a three-dimensional network.

SUBMITTER: Jin S

PROVIDER: S-EPMC3470248 | biostudies-literature | 2012 Oct

REPOSITORIES: biostudies-literature

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3,5,3',5'-Tetra-methyl-4,4'-bi(1H-pyrazol-yl) hemihydrate.

Jin Shouwen S Huang Yanfei Y Fang Hao H Wang Tianyi T Ding Liangliang L

Acta crystallographica. Section E, Structure reports online 20120908 Pt 10

In the title compound, C(10)H(14)N(4)·0.5H(2)O, 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 mol-ecules are linked by an N-H⋯N hydrogen bond, generating a dimer; the dimer is connected to the water mol-ecule, 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-linke ...[more]

PMID: 23125692

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