1-Formyl-3-phenyl-5-(4-isopropylphenyl)-2-pyrazoline: Synthesis, characterization, antimicrobial activity and DFT studies


SID A., MESSAI A., PARLAK C. , KAZANCI N. , LUNEAU D., KESAN G., ...Daha Fazla

JOURNAL OF MOLECULAR STRUCTURE, cilt.1121, ss.46-53, 2016 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 1121
  • Basım Tarihi: 2016
  • Doi Numarası: 10.1016/j.molstruc.2016.05.043
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE
  • Sayfa Sayıları: ss.46-53

Özet

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.