Antiparallel π∙∙∙π and C−H∙∙∙H−C Contacts in a Novel Zn(II) Coordination Solid involving π-hole Tetrel Bonding Interactions: A Combined Experimental and Theoretical Study …
Yazarlar (6)
Swah Mohd Nashre-ul-Islam
Kamala Kanta Borah
Doç. Dr. Füreya Elif ÖZTÜRKKAN Türkiye
Muhammad Asam Raza
Antonio Frontera
Diego M.Gile
Kafkas Üniversitesi
Kafkas Üniversitesi
| Makale Türü | Özgün Makale (Uluslararası alan indekslerindeki dergilerde yayınlanan tam makale) | ||
| Dergi Adı | Journal of Molecular Structure | ||
| Makale Dili | – | Basım Tarihi | 11-2022 |
| Cilt / Sayı / Sayfa | 1268 / 0 / – | DOI | – |
| Makale Linki | https://www.sciencedirect.com/science/article/pii/S0022286022013412 | ||
| UAK Araştırma Alanları |
Anorganik Kimya
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| Özet |
| A new Zn(II) coordination complex viz. [Zn(η2-Bz)(3-CNpy)(H2O)3]·Bz (1) [Bz = benzoate and 3-CNpy = 3-cyanopyridine] has been synthesized at room temperature and characterized by elemental analyses, electronic spectroscopy, FT-IR spectroscopy and single crystal X-ray diffraction.The molecules of 1 self-complimentarily assemble to form a 1D double-chain, stabilized by antiparallel π···π, C−H···H−C and π(nitrile)···π interactions along with other non-covalent interactions. These double-chains get interconnected through hydrogen bonding and π-hole tetrel bonding interactions to give a layered supramolecular architecture for 1. The interesting non-covalent interactions in 1 are studied by Hirshfeld surface analysis and different theoretical tools.The compound was docked with esterase as well as with glucosidase in order to check its biological potential. It was depicted from results that the compound 1 showed … |
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