Bis(4-methylbenzylammonium) tetrachloridozincate: a new noncentrosymmetric structure characterized by 13C CP-MAS NMR spectroscopy.

Authors :: Kefi R
Jeanneau E
Lefebvre F
Ben Nasr C
Source :: Acta crystallographica. Section C, Crystal structure communications [Acta Crystallogr C] 2011 May; Vol. 67 (Pt 5), pp. m126-9. Date of Electronic Publication: 2011 Apr 13.
Publication Year :: 2011
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.<br /> (© 2011 International Union of Crystallography)

Language :: English
ISSN :: 1600-5759
Volume :: 67
Issue :: Pt 5
Database :: MEDLINE
Journal :: Acta crystallographica. Section C, Crystal structure communications
Publication Type :: Academic Journal
Accession number :: 21540526
Full Text :: https://doi.org/10.1107/S0108270111012297

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