J. Jasinski, R. Butcher, P. Karegoudar
2008
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Analytical Sciences: X-ray Structure Analysis Online
Abstract
The title compound, 5-amino-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbonitrile, C10H5Cl3N4, crystallizes in the orthorhombic space group, Pca21, with two independent molecules (A and B) in the unit cell, and cell parameters a = 12.9035(2), b = 14.3155(2), c = 12.8187(2)A, α = β = γ = 90.0°, Z = 8. The dihedral angle between the mean planes of the trichlorophenyl and pyrazole groups is 87.3(4)° (A) and 79.3(9)° (B), respectively. Intermolecular hydrogen bonding N-H…N interactions and crystal packing effects influence the twist angle between these two groups.