Structural and Reactivity Analyses of Nitrofurantoin–4-dimethylaminopyridine Salt Using Spectroscopic and Density Functional Theory Calculations

Structural and Reactivity Analyses of Nitrofurantoin–4-dimethylaminopyridine Salt Using Spectroscopic and Density Functional Theory Calculations

Pharmaceutical salt, nitrofurantoin–4-dimethylaminopyridine (NF-DMAP), along with its native components NF and DMAP are scrutinized by FT-IR and FT-Raman spectroscopy along with density functional theory so that an insight into the H-bond patterns in the respective crystalline lattices can be gained...

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Bibliographic Details
Main Authors: Eram Khan, Anuradha Shukla, Karnica Srivastava, Debraj Gangopadhyay, Khaled H. Assi, Poonam Tandon, Venu R. Vangala
Format: Article
Language:English
Published: MDPI AG 2019-08-01
Series:Crystals
Subjects:
Nitrofurantoin–4-dimethylaminopyridine (NF-DMAP) salt
DFT study
HOMO-LUMO
reactivity descriptors
hydrogen bonding
Online Access:https://www.mdpi.com/2073-4352/9/8/413

Internet

https://www.mdpi.com/2073-4352/9/8/413

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