Growth, characterization, crystal and molecular structure studies of 1-(2 `-thiophen)-3-(2,3,5-trichlorophenyl)-2-propen-1-one

1-(2'-Thiophen)-3-(2,3,5-trichlorophenyl)-2-propen-1-one (TTCP) was synthesized by Claisen-Schmidt condensation reaction. FT-IR spectra were recorded to identify the functional groups present in the compound. The NLO test carried out on the sample using Z-scan technique confirms the existence of nonlinearity in the third harmonic generation. Further, the compound is characterized by UV-visible spectral studies for the optical transmission. Finally, the structure of the product obtained was confirmed by the X-ray diffraction studies. The compound crystallizes in the monoclinic space group P2(1)/c with a 16.6170(6) angstrom, b = 7.6180(5) angstrom, c = 10.9280(11) angstrom and beta = 104.635(3)degrees. The thiophene ring shows planar conformation and is affected by it conjugation. The unsaturated keto group is in + syn-periplanar conformation. The molecule exhibits both inter and intramolecular hydrogen bonds of the type C-H center dot center dot center dot O and C-H center dot center dot center dot Cl which can account for the stability of the molecule. (C) 2011 Elsevier B.V. All rights reserved