Synthesis, structural elucidation, spectroscopic, Hirshfeld surface analysis and theoretical simulation of a new adeninium orthoperiodate (1-) bis(hydrate) organic-inorganic hybrid crystals

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dc.contributor.authorBenali-Cherif, Rim
dc.contributor.authorTakouachet, Radhwane
dc.contributor.authorFalek, Wahiba
dc.contributor.authorBenali-Cherif,Nourredine
dc.contributor.authorJelsch,Christian
dc.contributor.authorMerazig, Hocine
dc.contributor.authorHafied, Meriem
dc.contributor.authorBendeif,El-Eulmi
dc.contributor.authorMokhnachi, Naima Bouslah
dc.contributor.authorTaibi,Kamel
dc.date.accessioned2026-09-17T09:05:57Z
dc.date.available2026-09-17T09:05:57Z
dc.date.issued2020-08-17
dc.descriptionAuthor 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.
dc.description.abstractOne 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
dc.identifier.citationBenali-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.
dc.identifier.issn0022-2860
dc.identifier.other10.1016/j.molstruc.2020.129034
dc.identifier.uriضعِي الرابط: [https://hal.science/hal-02916064](https://hal.science/hal-02916064)
dc.identifier.urihttp://dspace.univ-khenchela.dz:4000/handle/123456789/11360
dc.language.isoen
dc.publisherJournal of Molecular Structure
dc.titleSynthesis, structural elucidation, spectroscopic, Hirshfeld surface analysis and theoretical simulation of a new adeninium orthoperiodate (1-) bis(hydrate) organic-inorganic hybrid crystals
dc.typeArticle
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