Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 8 (August 2013)


metal-organic compounds



Acta Cryst. (2013). C69, 862-867    [ doi:10.1107/S0108270113018465 ]

Three transition-metal complexes with the macrocyclic ligand meso-5,7,7,12,14,14-hexa­methyl-1,4,8,11-tetra­aza­cyclotetra­decane (L): [Cu(ClO4)2(L)], [Zn(NO3)2(L)] and [CuCl(L)(H2O)]Cl

S. Yasmin, S. Suarez, F. Doctorovich, T. G. Roy and R. Baggio

Abstract: The three transition-metal complexes, (meso-5,7,7,12,14,14-hexa­methyl-1,4,8,11-tetra­azacyclo­tetra­decane-[kappa]4N)bis­(perchlorato-[kappa]O)copper(II), [Cu(ClO4)2(C18H40N4)], (I), (meso-5,7,7,12,14,14-hexa­methyl-1,4,8,11-tetra­azacyclo­tetra­decane-[kappa]4N)bis­(nitrato-[kappa]O)zinc(II), [Zn(NO3)2(C18H40N4)], (II), and aqua­chlorido­(meso-5,7,7,12,14,14-hexa­methyl-1,4,8,11-tetraazacyclo­tetra­decane-[kappa]4N)copper(II) chloride, [CuCl(C18H40N4)(H2O)]Cl, (III), are described. The mol­ecules display a very similarly distorted 4+2 octa­hedral environment for the cation [located at an inversion centre in (I) and (II)], defined by the macrocycle N4 group in the equatorial sites and two further ligands in trans-axial positions [two O-ClO3 ligands in (I), two O-NO2 ligands in (II) and one chloride and one aqua ligand in (III)]. The most significant difference in mol­ecular shape resides in these axial ligands, the effect of which on the intra- and inter­molecular hydrogen bonding is discussed. In the case of (I), all strong hydrogen-bond donors are saturated in intra­molecular inter­actions, while weak inter­molecular C-H...O contacts result in a three-dimensional network. In (II) and (III), instead, there are N-H and O-H donors left over for inter­molecular inter­actions, giving rise to the formation of strongly linked but weakly inter­acting chains.

Formula: [Cu(ClO4)2(C18H40N4)], [Zn(NO3)2(C18H40N4)] and [CuCl(C18H40N4)(H2O)]Cl

Keywords: crystal structure; macrocycles; biologically important compounds; chiral compounds.


hkldisplay filedownload file

Structure factor file (CIF format) (141.3 kbytes)
[ doi:10.1107/S0108270113018465/sk3501Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (121.7 kbytes)
[ doi:10.1107/S0108270113018465/sk3501IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (256.1 kbytes)
[ doi:10.1107/S0108270113018465/sk3501IIIsup4.hkl ]
Contains datablock III


Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster