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

• Published in: Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2013-08, Vol.69 (8), p.862-867
• Main Authors: Yasmin, Sabina, Suarez, Sebastián, Doctorovich, Fabio, Roy, Tapashi G., Baggio, Ricardo
• Format: Article
• Language: English
• Subjects: Alkanes - chemical synthesis; Alkanes - chemistry; Aza Compounds - chemical synthesis; Aza Compounds - chemistry; biologically important compounds; chiral compounds; Coordination Complexes - chemical synthesis; Coordination Complexes - chemistry; Copper - chemistry; Crystal structure; Crystallography; Crystallography, X-Ray; Hydrogen Bonding; Hydrogen bonds; Ligands; macrocycles; Macrocyclic Compounds - chemical synthesis; Macrocyclic Compounds - chemistry; Models, Molecular; Zinc - chemistry
• ISSN: 0108-2701; 1600-5759
• DOI: 10.1107/S0108270113018465

The three transition‐metal complexes, (meso‐5,7,7,12,14,14‐hexamethyl‐1,4,8,11‐tetraazacyclotetradecane‐κ4N)bis(perchlorato‐κO)copper(II), [Cu(ClO4)2(C18H40N4)], (I), (meso‐5,7,7,12,14,14‐hexamethyl‐1,4,8,11‐tetraazacyclotetradecane‐κ4N)bis(nitrato‐κO)zinc(II), [Zn(NO3)2(C18H40N4)], (II), and aquachlorido(meso‐5,7,7,12,14,14‐hexamethyl‐1,4,8,11‐tetraazacyclotetradecane‐κ4N)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.