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Crystal and Molecular Structure of 4-Benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonitrile
2012
Crystal Structure Theory and Applications
The crystal structure of potential active 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonitrile (C 23 H 15 N 3 O) (I) has been determined from single crystal X-ray diffraction data. Also IR, Uv-vis and NMR spectral data were determined. The title compound crystallizes in the monoclinic space group P 21/c, with a = 9.3167(2), b = 20.6677 (3) , c = 10.6143(3) Å, β = 112.665(3)˚, V = 1886.00(8) Å 3 , D calc = 1.23g cm -3 , Z = 4. In the structure, intermolecular H-bonds lead to the formation of a
doi:10.4236/csta.2012.11001
fatcat:l6eeo56rpfhxrc36teiuqkwfle