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).
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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| Copy the following to cite this article: Panicker C. Y, Varghese H. T, Mary Y. S, Krishnakumr G, Devi P. S. A, Harikumar B, Raju K. Theoretical study of the crystal structure of 4-chloro-N-(3-chlorophenyl)benzamide. Orient J Chem 2010;26(1). |
| Copy the following to cite this URL: Panicker C. Y, Varghese H. T, Mary Y. S, Krishnakumr G, Devi P. S. A, Harikumar B, Raju K. Theoretical study of the crystal structure of 4-chloro-N-(3-chlorophenyl)benzamide. Orient J Chem 2010;26(1).Available from: http://www.orientjchem.org/?p=23734 |
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