Theoretical study of the crystal structure of 4-chloro-N-(3-chlorophenyl)benzamide

C. Y. Panicker; H. T. Varghese; Y. S. Mary; G. Krishnakumr; P. S. A. Devi; B. Harikumar

Article | Open Access

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

¹Department of Physics, TKM College of Arts and Science, Kollam - 691 005 (India).

²Department of Physics, Fatima Mata National College, Kollam - 691 001 (India).

³Department of Physics, Univeristy College, Thiruvananthapuram (India).

⁴Department of Physics, College of Engineering, Thiruvananthapuram (India).

⁵Department of Physics, S.N.College, Chempazhanthy, Thiruvananthapuram (India).

⁶Department of Chemistry, TKM College of Arts and Science, Kollam - 691 005 (India).

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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