A New Decavanadate with Organic Cation: Synthesis, Crystal Structure, and Hirshfeld Surface Analysis

Rawia Nasri,Mohamed Faouzi Zid,Mohsen Graia,Regaya Ksiksi,Jun Liu

doi:10.1155/2021/5542315

Abstract

A new 2,6-bis aminomethyl piperidine decavanadate hydrate, (C7N3H20)2V10O28.4.21H2O, was synthesized by slow evaporation of a solution at room temperature. The molecular structure was investigated by single-crystal X-ray diffraction. In the crystal structure, the layers of decavanadate groups, organic cations, and water molecules are arranged parallel to the (010) plane. Also, the prepared compound has been analysed by FTIR spectroscopy and scanning electron microscopy (SEM). The crystal structure of the title compound is stabilized by hydrogen bonds and van der Waals interactions. The cohesion of the structure is ensured by O-H…O and N-H…O hydrogen bonds. The three-dimensional Hirshfeld surface (3D-HS) and the relative two-dimensional fingerprint plots (2D-FPs) of (C7N3H20)2V10O28.4.21H2O compound revealed that the structure is dominated by O…H/H…O (70.8%) and H…H (18.5%) contacts.

Highlights

The influence of noncovalent interactions has been widely studied due to their importance for the selfassembly and supramolecular stabilization [1]
We report the synthesis, crystal structure, and Hirshfeld surface analysis of the novel decavanadate (C7N3H20)2V10O28·4.21H2O
Crystal Structure. e single-crystal X-ray diffraction analysis shows that the formula unit of (C7N3H20)2V10O28·4.21H2O consists of one [V10O28]6− decavanadate group, two organic cations of 2,6-bis piperidinium, and 4.21 water molecules (Figure 1). e [V10O28]6− anions consist of ten sharing edges [VO6] which is similar to those reported in the literature [22]. e decavanadate group in this structure is noncentrosymmetric. e V-O distances in this group depend on the type of oxygen atoms involved: they are between 1.575(4) and 1.620(4) Afor terminal oxygen atoms, between 1.680(4) and 2.080(4) Afor doubly coordinated oxygen atoms, between 1.923(4) and 2.046(3) Afor triply coordinated oxygen atoms, and between 2.090(3) Aand 2.355(4) Afor hexacoordinated oxygen atoms

Summary

A New Decavanadate with Organic Cation

A new 2,6-bis aminomethyl piperidine decavanadate hydrate, (C7N3H20)2V10O28.4.21H2O, was synthesized by slow evaporation of a solution at room temperature. e molecular structure was investigated by single-crystal X-ray diffraction. A new 2,6-bis aminomethyl piperidine decavanadate hydrate, (C7N3H20)2V10O28.4.21H2O, was synthesized by slow evaporation of a solution at room temperature. E molecular structure was investigated by single-crystal X-ray diffraction. The layers of decavanadate groups, organic cations, and water molecules are arranged parallel to the (010) plane. The prepared compound has been analysed by FTIR spectroscopy and scanning electron microscopy (SEM). E crystal structure of the title compound is stabilized by hydrogen bonds and van der Waals interactions. E cohesion of the structure is ensured by O-H. E three-dimensional Hirshfeld surface (3D-HS) and the relative two-dimensional fingerprint plots (2D-FPs) of (C7N3H20)2V10O28.4.21H2O compound revealed that the structure is dominated by O. The prepared compound has been analysed by FTIR spectroscopy and scanning electron microscopy (SEM). e crystal structure of the title compound is stabilized by hydrogen bonds and van der Waals interactions. e cohesion of the structure is ensured by O-H. . .O and N-H. . .O hydrogen bonds. e three-dimensional Hirshfeld surface (3D-HS) and the relative two-dimensional fingerprint plots (2D-FPs) of (C7N3H20)2V10O28.4.21H2O compound revealed that the structure is dominated by O. . .H/H. . .O (70.8%) and H. . .H (18.5%) contacts

Introduction

Experimental

Results and Discussion

C Ka N Ka

Conclusion