Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2021-11, Vol.77 (Pt 11), p.1185-1189
• Main Authors: Gavrish, Sergey P, Shova, Sergiu, Lampeka, Yaroslaw D
• Format: Article
• Language: English
• Subjects: crystal structure; cyclam; hydrogen bonds; iodide; polymorph; Research Communications; triiodide; zinc
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989021011166

The asymmetric unit of the first title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II) iodide, [ZnI(C10H24N4)]I, I, consists of the zinc-cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn-I = 2.6619 (5) Å] and the second present as a counter-ion. The asymmetric unit of the second title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II) triiodide, [ZnI(C10H24N4)]I3, II, consists of half of the centrosymmetric macrocyclic cation, in which the ZnII ion coordinated to an iodide anion [Zn-I = 2.766 (2) Å] is disordered over two positions [Zn⋯Zn = 0.810 (3) Å], and of the two halves of the crystallographically non-equivalent, non-coordinated, centrosymmetric triiodide anions. In both compounds, the N,N,N,N-tetra-dentate macrocyclic ligand is present in the most energetically favored trans-III conformation. In the crystals of I, the [Zn(C10H24N4)I]+ cations and the non-coordinated iodide anions are linked by N-H⋯I and bifurcated N-H⋯(I,I) hydrogen bonds, resulting in the formation of two-dimensional networks lying parallel to the (001) and (101) planes. In contrast, the crystals of II are built up from infinite chains of the five-coordinate macrocyclic units arranged along the b-axis direction and perpendicular sheets formed of the triiodide counter-ions without significant hydrogen bonding between them.The asymmetric unit of the first title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II) iodide, [ZnI(C10H24N4)]I, I, consists of the zinc-cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn-I = 2.6619 (5) Å] and the second present as a counter-ion. The asymmetric unit of the second title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ4 N 1,N 4,N 8,N 11)zinc(II) triiodide, [ZnI(C10H24N4)]I3, II, consists of half of the centrosymmetric macrocyclic cation, in which the ZnII ion coordinated to an iodide anion [Zn-I = 2.766 (2) Å] is disordered over two positions [Zn⋯Zn = 0.810 (3) Å], and of the two halves of the crystallographically non-equivalent, non-coordinated, centrosymmetric triiodide anions. In both compounds, the N,N,N,N-tetra-dentate macrocyclic ligand is present in the most energetically favored trans-III conformation. In the crystals of I, the [Zn(C10H24N4)I]+ cations and the non-coordinated iodide anions are linked by N-H⋯I and bifurcated N-H⋯(I,I) hydrogen bonds, resulting in the forma