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A Hirshfeld surface analysis, crystal structure and physicochemical studies of zwitterionic complex: 1-(2-hydroxyethyl)piperaziniumtrichlorozincate (II)

Abstract : The synthesis, crystal structure and spectroscopic characterization of the novel 1-(2-hydroxyethyl)piperaziniumtrichlorozincate(lI) zwitterionic complex are reported. In the atomic arrangement, the ZnCl3N entities, grouped in pairs, are deployed in rows along the a-axis to form layers parallel to the (a,c) plane. The organic molecules are inserted between these layers through N-H center dot center dot center dot Cl, C-H center dot center dot center dot Cl, O-H center dot center dot center dot Cl and N-H center dot center dot center dot O hydrogen bonds to form infinite three-dimensional networks. Intermolecular interactions were investigated by Hirshfeld surfaces. The C-13 and N-15 CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands.
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https://hal.univ-lorraine.fr/hal-01532140
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Submitted on : Friday, June 2, 2017 - 3:03:13 PM
Last modification on : Tuesday, June 16, 2020 - 11:28:03 AM

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S. Soudani, E. Jeanneau, C. Jelsch, F. Lefebvre, Cherif Ben Nasr. A Hirshfeld surface analysis, crystal structure and physicochemical studies of zwitterionic complex: 1-(2-hydroxyethyl)piperaziniumtrichlorozincate (II). Inorganic Chemistry Communications, Elsevier, 2016, 70, pp.65-70. ⟨10.1016/j.inoche.2016.05.002⟩. ⟨hal-01532140⟩

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