A C(π-hole)⋯Cl–Zn tetrel interaction driving a metal–organic supramolecular assembly.

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Title: A C(π-hole)⋯Cl–Zn tetrel interaction driving a metal–organic supramolecular assembly.
Authors: Ramírez de Arellano, Carmen1 (AUTHOR) Carmen.ramirezdearellano@uv.es, Adam, Rosa1 (AUTHOR), Ballesteros-Garrido, Rafael1 (AUTHOR), Abarca, Belen1 (AUTHOR), Ballesteros, Rafael1 (AUTHOR), Alcorta, Ibon2 (AUTHOR), Elguero, José2 (AUTHOR), Escrivà, Emilio3 (AUTHOR)
Source: CrystEngComm. 11/14/2020, Vol. 22 Issue 42, p6979-6982. 4p.
Subjects: Ligands (Chemistry), Dimers
Abstract: A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(π-hole)⋯Cl–Zn tetrel interaction that plays a determining role in the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2)2(μ-bptpy)2] crystals. Supramolecular chains are formed through C–H⋯X interactions. The observed interactions are supported by DFT calculations using model dimers. [ABSTRACT FROM AUTHOR]
Copyright of CrystEngComm is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(π-hole)⋯Cl–Zn tetrel interaction that plays a determining role in the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2)2(μ-bptpy)2] crystals. Supramolecular chains are formed through C–H⋯X interactions. The observed interactions are supported by DFT calculations using model dimers. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of CrystEngComm is the property of Royal Society of Chemistry and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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