Dichlorido[2,2′-(1,10-phenanthrolin-2-ylimino)diethanol]cadmium(II)

In the title complex, [CdCl2(C16H17N3O2)], the metal atom exhibits a distorted trigonal-bipyramidal coordination geometry. O—H⋯O and O—H⋯Cl hydrogen bonds involving hydroxy groups and one of coordinated Cl atoms link complexes in the crystal packing. There is a π–π stacking interaction between adjacent 1,10-phenanthroline rings, with a distance of 3.675 (2) Å between the centroids of the pyridine and benzene rings.

In the title complex, [CdCl 2 (C 16 H 17 N 3 O 2 )], the metal atom exhibits a distorted trigonal-bipyramidal coordination geometry. O-HÁ Á ÁO and O-HÁ Á ÁCl hydrogen bonds involving hydroxy groups and one of coordinated Cl atoms link complexes in the crystal packing. There is astacking interaction between adjacent 1,10-phenanthroline rings, with a distance of 3.675 (2) Å between the centroids of the pyridine and benzene rings.
Experimental 10 ml methanol solution of 2,2'-(1,10-phenanthrolin-2-ylimino)diethanol (0.0439 g, 0.155 mmol) was added into 10 ml H 2 O solution containing CdCl 2 .2.5 H 2 O (0.0354 g, 0.155 mmol) and the mixture was stirred for a few m. The colourless single crystals were obtained after the filtrate had been allowed to stand at room temperature for two weeks.

Refinement
HO-bound H atoms were located in a difference Fourier map, and placed in idealised positions with O-H = 0.85 Å and with U iso (H) = 1.5U eq (O); other H atoms were placed in calculated positions with C-H = 0.97 Å for methylene group and C-H = 0.93 Å for 1,10-phenanthroline ring with U iso (H) = 1.2U eq (C). All H atoms were refined as riding entities. Fig. 1

Special details
Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating Rfactors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.