Structural characterization and hirshfeld surface analysis of the pyrazoline 1-(3-(4-iodophenyl)-5-(3 methylthiophen-2-yl)-4,5- dihydro-1h-pyrazol-1-yl)ethan-1-one

• Main Authors: Delgado, G. E., Liew, S. M., Jamalis, J., Cisterna, J., Cardenas, A., Brito, I.
• Format: Article
• Published: Elsevier B. V. 2010
• Subjects: QD Chemistry
• Online Access: http://eprints.utm.my/id/eprint/86537/; https://dx.doi.org/10.1016/j.molstruc.2020.128044

The pyrazoline compound 1-(3-(4-iodophenyl)-5-(3-methylthiophen-2-yl)-4,5-dihydro-1H-pyrazol-1yl)ethan-1-one has been synthesized, characterized by spectroscopic techniques and it structure confirmed by X-ray diffraction studies. This compound crystallize in the monoclinic system with space group I2/a, Z = 8, and unit cell parameters a = 25.4315(13) angstrom, b = 5.1216(3) angstrom, c = 26.2639(14) angstrom, beta = 105.767(5)degrees, V = 3292.2(3) angstrom(3). The crystal packing is dominated by cohesive weak C/H center dot center dot center dot pi interactions among neighboring molecules producing an efficient packing with 65.5% of occupied space. Hirshfeld surface analysis and 2D fingerprint plots were used for visually analyzing intermolecular interactions in the crystal structure.