Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study

Synthesis of 2-amino-5-methylpyridinium tetrachloridocadmate(II) (C6H9N2)2[CdCl4]: Structure, DFT-calculated descriptors and molecular docking study

In this research paper, (C6H9N2)2[CdCl4], was effectively synthesized using the slow solvent evaporation procedure. Single crystal X-ray diffraction (scXRD) analysis revealed that the compound crystallizes in the triclinic system, specifically in the space group P 1¯. Powder XRD (PXRD) of the bulk m...

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Bibliographic Details
Main Authors: Ikram Jomaa, Fehmi Bardak, Noureddine ISSAOUI, Aurelio Cabeza, Duane Choquesillo-Lazarte, Ahmet Atac, Houda Marouani, Omar M. Al-Dossary
Format: Article
Language:English
Published: Elsevier 2024-05-01
Series:Journal of King Saud University: Science
Subjects:
Hirshfeld surface
DFT calculations
IR spectroscopy
AIM-RDG
HOMO-LUMO
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S1018364724000909

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http://www.sciencedirect.com/science/article/pii/S1018364724000909

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