(Di-2-pyridylamine)(methanol)sulfatocopper(II)

The title complex, [Cu(SO4)(C10H9N3)(CH3OH)], is a mononuclear species with the CuII ion in a Jahn–Teller-distorted ‘4 + 1’ square-pyramidal geometry. The basal plane is defined by the pyridyl N-atom donors of the bipyridylamine (bpa) ligand and two O-atom donors of the sulfate ligand. The coordination geometry is completed by the axial coordination of a methanol O-atom donor. The axial bond length displays the usual elongation: Cu—O(axial) = 2.168 (2), Cu—O(basal) = 2.016 (2) (average) and Cu—N(basal) = 1.951 (3) Å (average). In the crystal structure, the complex molecules are linked through N—H⋯O and O—H⋯O hydrogen bonds into chains along [100].

The title complex, [Cu(SO 4 )(C 10 H 9 N 3 )(CH 3 OH)], is a mononuclear species with the Cu II ion in a Jahn-Teller-distorted '4 + 1' square-pyramidal geometry. The basal plane is defined by the pyridyl N-atom donors of the bipyridylamine (bpa) ligand and two O-atom donors of the sulfate ligand. The coordination geometry is completed by the axial coordination of a methanol O-atom donor. The axial bond length displays the usual elongation: Cu-O(axial) = 2.168 (2), Cu-O(basal) = 2.016 (2) (average) and Cu-N(basal) = 1.951 (3) Å (average). In the crystal structure, the complex molecules are linked through N-HÁ Á ÁO and O-HÁ Á ÁO hydrogen bonds into chains along [100].

Comment
In the course of our investigations of the design of materials constructed from metal oxide nodes linked through or decorated with copper-pyridyl subunits (Armatas et al. (2005); Chesnut et al. (1999);Hagrman et al. (1999)), we prepared and investigated a series of dipodal ligands with bis(2-pyridylmethyl)amine termini (Bartholomä et al. (2010a,b,c,d,e).
Since this ligand acts as a tridentate donor, the structural consequences of introducing an analogous bidentate ligand, such as bis(2-pyridyl)amine were of interest in expanding the structural data base. Representative examples of copper-bis(2pyridyl)amine complexes have been reported (Fischer & Bau (1977); Kavounis et al. (1999) (2) Å; Cu-O5, 2.168 (2) Å. The structure is stabilized by intermolecular hydrogen-bonding between the amine N-H group and a pendant sulfate oxygen and between the methanol O-H group and the pendant sulfate oxygen (Fig. 2). This results in a one-dimensional hydrogen-bonded double chain parallel to the [100] direction (Fig. 3).

Refinement
Pyridyl hydrogen atoms were discernable in the difference Fourier map. The hydrogen atoms were placed in calculated positions with C-H = 0.95 Å and included in the riding model approximation with U iso (H) = 1.2U eq (C). The amine hydrogen atom and the hydrogen associated with the oxygen of the methanol molecule were also found on the difference Fourier map.
These were included in the coordinate riding approximation with U iso (H) free to vary. Fig. 1. An ORTEP view of the structure of the title complex, showing displacement ellipsoids at the 50% probability level and the atom-labeling scheme. The pyridyl group hydrogen atoms have been omitted for clarity.

Data collection
Bruker APEX CCD area-detector diffractometer 3308 independent reflections