Crystal Structure of 5-Amino-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbonitrile

Jasinski, Jerry P. and Butcher, Ray J. and Karegoudar, Prakash and Holla, B. S. and Yathirajan, H. S. and Narayana, B. (2008) Crystal Structure of 5-Amino-1-(2,4,6-trichlorophenyl)-1H-pyrazole-4-carbonitrile. Analytical Sciences: X-ray Structure Analysis Online, 24. x207-x208. ISSN 1348-2238

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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)Å, 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.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: C Swapna Library Assistant
Date Deposited: 16 Dec 2019 09:58
Last Modified: 16 Dec 2019 09:59

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