1-Formyl-3-phenyl-5-(4-isopropylphenyl)-2-pyrazoline: Synthesis, characterization, antimicrobial activity and DFT studies
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Date
2016-05-13
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Abstract
The structure of 1-formyl-3-phenyl-5-(4-isopropylphenyl)-2-pyrazoline synthesized as single crystal was
investigated by FTIR, NMR, XRD. Experimental data were complemented by quantum mechanical calculations. XRD data show that the compound crystallizes in the triclinic system (P 1) via trans isomer
(a ¼ 6.4267(4) Å, b ¼ 10.9259(12) Å, c ¼ 12.4628(9) Å and a ¼ 102.894(8) , b ¼ 102.535(6) ,
g ¼ 101.633(7) ). Anti-microbial screening results indicate that the compound shows promising activity.
The theoretically predicted and experimentally obtained parameters reveal further insight into pyrazoline systems