X-Ray diffraction and vibrational spectroscopic study of 2-chloro-N-{4-[3-(2,5-dimethylphenyl)-3-methylcyclobutyl]-thiazol-2-yl}-acetamide |
| |
Authors: | Nezihe Çali?kan Feyizan Güntepe Çi?dem Yüksektepe Alaaddin Çukuroval? Orhan Büyükgüngör |
| |
Institution: | 1.Department of Physics, Faculty of Arts and Sciences,Ondokuz Mayis University,Kurupelit, Samsun,Turkey;2.Department of Physics, Faculty of Science,Cankiri Karatekin University,Ballica, Cankiri,Turkey;3.Department of Chemistry, Faculty of Science,Firat University,Elazi?,Turkey |
| |
Abstract: | The title compound C18H21ClN2SO crystallizes with Z = 4 in space group P21/c. The structure of the title compound was characterized by 1H-NMR, 13C-NMR, IR and single crystal diffraction. There are an intermolecular N-H…O hydrogen bond and a C-H…π interactions in crystal
packing. In addition to the molecular geometry and packing obtained from X-ray experiment, the molecular geometry and vibrational
frequencies of the title compound in ground state have been calculated using density functional theory method DFT (B3LYP)
with 6-31G (d, p) basis set. Calculated frequencies, bond lengths, angles and dihedral angles are in good agreement with the corresponding
experimental data. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |
|