Abstract
In the title compound, [Cd2(C6H9N3O2)2Cl6], the coordination polyhedra around the CdII cations are distorted trigonal bipyramids. Two of the chloride ions (one axial and one equatorial) are bridging to the other metal atom, leading to a Cd⋯Cd separation of 3.9162 (4) Å. The O atom of the l-histidinium cation lies in an axial site. In the crystal, numerous N-H⋯Cl, N-H⋯O, C-H⋯O and C-H⋯Cl hydrogen bonds link the mol-ecules into a three-dimensional network. Theoretical calculations and spectroscopic data are available as supporting information.
Highlights
As a natural amino acid, l-histidine occurs in all organisms
We report the synthesis and structure of the title cadmium complex with l-histidine, (I)
Cadmium is structurally interesting as it exhibits a number of coordination numbers and geometries such as those in [CdCl4] (Boufas et al, 2009), [Cd3Cl11] (Kurawa et al, 2008), [CdCl6]n (Jarboui et al, 2011) and [CdCl4]n (Loseva et al, 2010)
Summary
As a natural amino acid, l-histidine occurs in all organisms. It is a metal chelator in plants accumulating nickel from the soil (Kramer et al, 1996) and a part of the copper-transport system in human blood (Deschamps et al, 2005). The 21 values lie near À90 or +90 but the angle often deviates from these ideal values, as a result of interactions between the imidazole ring and other groups in the structure. The following values are seen: 1 = À52.9 (6); 10 = À52.3 (5); 21 = À72.2 (7); 210 = À82.5 (7) Both histidinium cations adopt the sterically favourable open conformation in (I). Symmetry codes: (i) x À 1; y; z À 1; (ii) x À 1; y À 1; z À 1; (iii) x þ 1; y; z; (iv) x þ 1; y; z þ 1; (v) x þ 1; y þ 1; z þ 1; (vi) x; y; z þ 1
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