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2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro-phen-yl)meth-yl]malononitrile.

ABSTRACT: In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7?(1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4?(1)°. The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol-ecules are linked via inter-molecular N-H?N hydrogen bonding.

SUBMITTER: Zhang XY

PROVIDER: S-EPMC2961285 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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2-[(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)(4-chloro-phen-yl)meth-yl]malononitrile.

Zhang Xin-Ying XY Li Xiao-Yan XY Wang Xia X Li Dong-Fang DF Fan Xue-Sen XS

Acta crystallographica. Section E, Structure reports online 20080426 Pt 5

In the crystal structure of the title compound, C(20)H(16)ClN(5), the dihedral angle between the pyrazole ring and the phenyl ring is 54.7 (1)° and that between the pyrazole ring and the chloro-substituted phenyl ring is 72.4 (1)°. The methyl H atoms are disordered over two positions with site occupancy factors of ca 0.7 and 0.3. One amino H is disordered equally over two positions. In the crystal structure, the mol-ecules are linked via inter-molecular N-H⋯N hydrogen bonding. ...[more]

PMID: 21202390

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