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Computational, Spectral & Single Crystal Studies of 4-chloro-N,Ndiphenylbenzamide

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Title Computational, Spectral & Single Crystal Studies of 4-chloro-N,Ndiphenylbenzamide
 
Creator Shukla, Shraddha
Bishnoi, Abha
Devi, Poornima
Fatma, Shaheen
Singh, Ramesh
 
Subject Spectroscopic
Structural
Parameters
 
Description 513-521
The present work comprises of spectroscopic, crystal and in silico studies of 4-chloro-N,Ndiphenylbenzamide. Synthesis
of the compound was done followed by respective characterization by different spectral approaches. The in silico studies of title
compound was further performed to ascertain various structural and geometrical parameters. All the studies were carried out at
thetheory level B3LYP functional and 6-31G (d, p) as basis set. The geometry and other structural aspects of 4-chloro-
N,Ndiphenylbenzamide were confirmed by X-ray diffraction.
 
Date 2021-07-19T06:48:19Z
2021-07-19T06:48:19Z
2021-07
 
Type Article
 
Identifier 0975-0959 (Online); 0301-1208 (Print)
http://nopr.niscair.res.in/handle/123456789/57726
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJPAP Vol.59(07) [July 2021]