A mixture of CuCl2 (0.5 mmol), KOH (0.5 mmol), 1,2,4-triazole (0.5 mmol) and
H2O (8 ml) was sealed in a 25 ml Teflon-lined stainless steel autoclave and
kept at 413 K for 2 d. On cooling to room temperature, blue crystals of the
title compound were obtained in a yield of 11%. Elemental analysis calculated:
C 14.37, H 1.20, N 25.15%; found: C 14.32, H 1.24, N 25.12%.
Structure description
top
The title compound, [Cu(C2H2N3)Cl]n, is isostructural with its
MnII (Gao et al., 2007b), CoII (Wayne et al., 2006),
NiII (Gao et al., 2007a) and ZnII (Jonas et al.,
1995) analogues.
The coordination polyhedron of the CuII atom (Fig. 1) can be described as a
distorted tetrahedron. The CuII atom is surrounded by three N atoms
belonging to three different triazolate ligands, and a Cl atom. The Cu—N
bond lengths are in the range 1.9585 (19)–2.2057 (19) Å, and the Cu—Cl bond
length is 2.1955 (8) Å. The bond angles around the CuII atom are in the
range 103.92 (8)–113.97 (6) °.
Polymeric layers (Fig. 2) are formed due to the triply bridging nature of the
1,2,4-triazolate ligand, which is bonded to three different CuII atoms
through its three N atoms. A layer contains both binuclear and tetranuclear
macrocyclic units. In the binuclear unit, two CuII atoms are bridged by two
nearly coplanar triazolate groups through the 1,2-positions, affording a
six-membered ring around an inversion center. The Cu···Cu separation within
the binuclear unit is 3.722 (1) Å. Each binuclear unit is further connected
to four parallel units through the other four N atoms of the triazolate
groups. Four adjacent units, which are pairwise parallel, afford 16-membered
tetranuclear macrocyclic units. In each of these, the two nearest-neighbor
CuII atoms are bridged by a single triazolate ligand through the
1,4-positions. The Cu···Cu separations are 5.628 (1) and 6.026 (1) Å.
For the isostructural analogues, see: Gao et al. (2007b) (MnII);
Wayne et al. (2006) (CoII); Gao et al. (2007a)
(NiII); Jonas et al. (1995) (ZnII).
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus (Bruker, 2001); program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: SHELXL97 (Sheldrick, 1997); molecular graphics: SHELXTL (Bruker, 2001); software used to prepare material for publication: SHELXTL (Bruker, 2001).
The title compound, [Cu(C2H2N3)Cl]n, is isostructural with its MnII (Gao et al., 2007b), CoII (Wayne et al., 2006), NiII (Gao et al., 2007a) and ZnII (Jonas et al., 1995) analogues.
The coordination polyhedron of the CuII atom (Fig. 1) can be described as a distorted tetrahedron. The CuII atom is surrounded by three N atoms belonging to three different triazolate ligands, and a Cl atom. The Cu—N bond lengths are in the range 1.9585 (19)–2.2057 (19) Å, and the Cu—Cl bond length is 2.1955 (8) Å. The bond angles around the CuII atom are in the range 103.92 (8)–113.97 (6) °.
Polymeric layers (Fig. 2) are formed due to the triply bridging nature of the 1,2,4-triazolate ligand, which is bonded to three different CuII atoms through its three N atoms. A layer contains both binuclear and tetranuclear macrocyclic units. In the binuclear unit, two CuII atoms are bridged by two nearly coplanar triazolate groups through the 1,2-positions, affording a six-membered ring around an inversion center. The Cu···Cu separation within the binuclear unit is 3.722 (1) Å. Each binuclear unit is further connected to four parallel units through the other four N atoms of the triazolate groups. Four adjacent units, which are pairwise parallel, afford 16-membered tetranuclear macrocyclic units. In each of these, the two nearest-neighbor CuII atoms are bridged by a single triazolate ligand through the 1,4-positions. The Cu···Cu separations are 5.628 (1) and 6.026 (1) Å.