title: Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by 13C CP-MAS NMR spectroscopy.
abstract: A new noncentrosymmetric organic-inorganic hybrid material, (C(8)H(12)N)(2)[ZnCl(4)], has been synthesized as single crystals at room temperature and characterized by X-ray diffraction and solid-state NMR spectroscopy. Its novel structure consists of two 4-methylbenzylammonium cations and one [ZnCl(4)](2-) anion connected by N-H···Cl and C-H···Cl hydrogen bonds, two of which are three-centre interactions. The Zn(II) metal centre has a slightly distorted tetrahedral coordination geometry. Results from (13)C CP-MAS NMR spectroscopy are in good agreement with the X-ray structure. Density functional theory calculations allow the assignment of the carbon peaks to the independent crystallographic sites.
authors.affiliation: Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna, Tunisia.
authors.forename: Riadh
authors.initials: R
authors.lastname: Kefi
authors.forename: Erwann
authors.initials: E
authors.lastname: Jeanneau
authors.forename: Frédéric
authors.initials: F
authors.lastname: Lefebvre
authors.forename: Cherif
authors.initials: C
authors.lastname: Ben Nasr