1-Formyl-3-phenyl-5-(4-isopropylphenyl)-2-pyrazoline: Synthesis, characterization, antimicrobial activity and DFT studies
Articles > Article · 2016
Authors: Assia SID, Amel MESSAI, Cemal PARLAK, Nadide KAZANCI, Dominique LUNEAU, Gurkan KESAN, Lydia RHYMAN, Ibrahim A. ALSWAIDAN, Ponnadurai RAMASAMİ
Journal of Molecular Structure, Journal Indexed in SCI Expanded, International, WoS, 2016, vol 1121, pp 46-53
DOI: 10.1016/j.molstruc.2016.05.043
Summary
The structure of 1-formy1-3-phenyl-5-(4-isopropylpheny1)-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 = 6.4267(4) angstrom, b = 10.9259(12) angstrom, c = 12.4628(9) angstrom and alpha = 102.894(8)degrees, beta = 102.535(6)degrees, gamma = 101.633(7)degrees). Anti-microbial screening results indicate that the compound shows promising activity. The theoretically predicted and experimentally obtained parameters reveal further insight into pyrazoline systems. (C) 2016 Elsevier B.V. All rights reserved.