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. |
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| 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] |
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| Database: | Engineering Source |
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