trans-{1,8-Bis[(S)-1-phenylethyl]-1,3,6,8,10,13-hexaazacyclotetradecane}bis(thiocyanato-κN)copper(II)

Abstract

In the title thio­cyanate-coordinated aza-macrocyclic copper(II) complex, [Cu(NCS)2(C24H38N6)], the CuII atom is coordinated by the four secondary N atoms of the aza-macrocyclic ligand and by the two N atoms of the thio­cyanate ions in a tetra­gonally distorted octa­hedral geometry. The average equatorial Cu—N bond length is shorter than the average axial Cu—N bond length [2.010 (2) and 2.528 (4) Å, respectively]. An N—H⋯N hydrogen-bonding inter­action between the secondary amine N atom and the adjacent thio­cyanate ion leads to a polymeric chain along the a axis.

Crystal structure oftrans-(1,8-dibutyl-1,3,6,8,10,13-hexaazacyclotetradecane-κ4N3,N6,N10,N13)bis(thiocyanato-κN)nickel(II) from synchrotron data

“…1.627 (11) Å , respectively. The former is very similar to a C N triple-bond length, while the latter is slightly shorter than reported C-S single-bond lengths (Bradforth et al, 1993;Shin et al, 2010). The six-membered chelate rings involving C2A, C3A and C2B, C3B atoms adopt a chair conformation, whereas the five-membered chelate rings involving C1A, C4A and C1B, C4B assume a gauche conformation (Min & Suh, 2001;Kim et al, 2015).…”

The first structural characterization of the protonated azacyclam ligand incatena-poly[[[(perchlorato)copper(II)]-μ-3-(3-carboxypropyl)-1,5,8,12-tetraaza-3-azoniacyclotetradecane] bis(perchlorate)]

“…The methylene group of the substituent at the noncoordinated N3 atom in the six-membered chelate ring is oriented equatorially. Such an arrangement of the substituent, in contrast to an axial orientation, is relatively uncommon and only a few examples of such Cu II complexes with aza-and diazacyclam ligands have been described so far (Shin et al, 2010(Shin et al, , 2012Tsymbal et al, 2010;Husain et al, 2012;Xia et al, 2014).…”

Synthesis, Crystal Structure, and Spectroscopic Properties of Cu(II) Complex with 14-Membered Hexaazamacrocyclic Ligands

“…Typical examples of primary amines side chain, the ''pendant arm'', that have been used so far include propylamine [22,23], ethanolamine [24,25], 1,4-phenylenediamine [26], hydrazine [27], 2-thiophenemethylamine [28], nicotinamide [5], 4-aminobutyric acid [29,30], ethylamine [31], (R)-(? )-1-(1-naphthyl)ethylamine [32], ethylenediamine [33], 1-(3-aminopropyl)-imidazole [34], benzylamine [1,35], and (R/S)-a-methylbenzylamine [36][37][38][39].…”