Synthesis, structural elucidation, spectroscopic, Hirshfeld surface analysis and theoretical simulation of a new adeninium orthoperiodate (1-) bis(hydrate) organic-inorganic hybrid crystals
No Thumbnail Available
Date
2020-08-17
Journal Title
Journal ISSN
Volume Title
Publisher
Journal of Molecular Structure
Abstract
One novel organic-inorganic hybrid supramolecular compound named Adeninium orthoperiodate (1-) bis(hydrate) (I) has been synthesized and characterized by FT-IR spectroscopy and single-crystal X-ray diffraction complemented with a quantum chemical study performed with DFT method at the B3LYP/3-21G level. The title compound crystallized in the monoclinic centrosymmetric P 21/n space group. In the molecular arrangement, the different entities are held together through the interplay of intermolecular O-H...N/O and N-H...O hydrogen bonds, that found to be effective in stabilizing the three-dimensional crystal packing
Description
Author Affiliation: Radhwane Takouachet (Medical Faculty Annex, Université Abbes Laghrour Khenchela, Algeria). Open Access article archived via HAL (hal-02916064). Published in Journal of Molecular Structure, Vol. 1224, Article 129034.
Keywords
Citation
Benali-Cherif, R., Takouachet, R., Falek, W., Benali-Cherif, N., Jelsch, C., Merazig, H., Hafied, M., Bendeif, E. E., Bouslah Mokhnachi, N., & Taibi, K. (2021). Synthesis, structural elucidation, spectroscopic, Hirshfeld surface analysis and theoretical simulation of a new adeninium orthoperiodate (1-) bis(hydrate) organic-inorganic hybrid crystals. Journal of Molecular Structure, 1224, 129034.