Refinement of the crystal structure of 1,4-diazabicyclo[2.2.2]octane tetrachlorozincate, (C6H14N2)(ZnCl4), at 153 K

Abstract

C 6 H 14Cl 4 N 2 Zn, monoclinic, P 121 / c 1(no. 14), a =9.5046(3) Å, b =6.7260(1) Å, c =18.2493(4) Å, Source of materialThe title compound wass ynthesized by heating the mixture of DABCO,ZnCl 2 ,hydrochloric acid in amolarratio of 1:1:2. The solution of the compound in water wasconcentrated gradually at room temperature to afford colorless blocks. Experimental detailsThe Hatoms attaching the Natoms were located from the Fourier difference map, and refined freely. All other Hatoms were positioned geometrically and refined using ariding model with isotropic displacement parameters equalt o1 .2U eq of their parent atoms. The C-Hdistances were fixed at0.99 Åfor methylene groups. Discussion