Delgado, G. E. and Liew, S. M. and Jamalis, J. and Cisterna, J. and Cardenas, A. and Brito, I. (2010) 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. Journal of Molecular Structure, 1210 .
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Official URL: https://dx.doi.org/10.1016/j.molstruc.2020.128044
Abstract
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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | pyrazoline, crystal structure, hydrogen bonding patterns |
| Subjects: | Q Science > QD Chemistry |
| Divisions: | Science |
| ID Code: | 86537 |
| Deposited By: | Narimah Nawil |
| Deposited On: | 30 Sep 2020 08:41 |
| Last Modified: | 30 Sep 2020 08:41 |
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