Crystal structure of catena-chlorobis(imidazole)(μ-imidazolato-N,N')-copper(II),[Cu(Cl)(C3H4N2)2(C3H3N2)]

J.-L. Lin, Y.-Q. Zheng
2004 Zeitschrift für Kristallographie - New Crystal Structures  
position. The Cu-N bond distances to the imidazolato nitrogen atoms are 1.952 A, 1.983 A, slightly shorter than those of2.065 A to the imidazole nitrogen atoms, indicating stronger donor capability of the imidazolate N atoms. The Cu-CI bond length is equal to 2.565 A. The Cu atom is found to be shifted away by 0.303(5) A from the equatorial plane defined by four N atoms towards the apical CI atom. The imidazole NH groups donates the hydrogen atoms to CI atoms of adjacent chains to from weak
more » ... ns to from weak interchain N-H-Cl hydrogen bonds ( #1: X, y-1,z #2: -x+1, y, z #3:x,y+l,z Abstract C9H11CIC11N6, orthorhombic, Pmrili (no. 31), a = 13.733(3) A, b = 6.102(1) A, c = 7.252(2) A, V= 607.7 A 3 , Z= 2, Rp{F) = 0.047, wRreffF 2 ) = 0.101, T= 293 K. Source of material Addition of 2.0 ml 1 M K2CO3 solution to an aqueous solution of CuCl 2 • 2H 2 0 (0.257 g, 1.506 mmol) in 5.0 ml H 2 0 yielded blue precipitate, which was separated out and moved to an aqueous methanolic solution of imidazole (0.102 g, 1.500 mmol) in a mixture consisting of 10 ml H2O and 10 ml CH3OH. The insoluble solid was filtered out and the dark blue filtrate (pH = 8.45) was allowed to stand at room temperature. Slow evaporation for two weeks afforded prismatic blue crystals. Discussion The title compound consists of imidazolato bridged polymeric chains in terms of ¿[Cu(C3H4N2)2Cl(C3H3N2)2/2] extending infinitely along [010]. The Cu atoms are each square pyramidally coordinated by one CI atom and four N atoms of two imidazole ligands and two imidazolate anions with the CI atom at the apical Table 3 . Atomic coordinates and displacement parameters (in A 2 ). Table 1. Data collection and handling. Crystal: Wavelength: H-
doi:10.1524/ncrs.2004.219.14.463 fatcat:2wt6zdk5rzdmdeppoo7qeommwu