Abstract
Theoretical study of the crystal structure of 4-chloro-N-(3-chlorophenyl)benzamide
C. Y. Panicker1, H. T. Varghese2, Y. S. Mary3, G. Krishnakumr4, P. S. A. Devi5, B. Harikumar1 and K. Raju6
Abstract:
The geometrical parameters of 4-Chloro-N-(3-chlorophenyl)benzamide were calculated theoretically using Gaussian03 set of quantum chemistry codes. The obtained geometrical parameters are compared with the reported XRD structure of 4-Chloro-N-(3-chlorophenyl) benzamide. The bond lengths and bond angles calculated theoretically agree with the reported values.
Keywords:4-Chloro-N-(3-chlorophenyl)benzamide; HF calculations; XRD
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