Abstract
In the title complex, [Cd(NCS)2(C22H20N6)], the CdII ion is in a CdN6 coordination geometry which is intermediate between octahedral and trigonal–prismatic. The dihedral angles formed between the mean planes of the pyrazole rings and the phenanthroline system are 15.74 (15) and 16.30 (13)°. In the crystal, there is a π–π stacking interaction involving two symmetry-related pyrazole rings, with a centroid–centroid distance of 3.664 (3) Å. In addition, there is a relatively short intermolecular contact between C atoms [C⋯C = 3.399 (6) Å] involving symmetry-related pyridine rings along the a axis.
Highlights
In the title complex, [Cd(NCS)2(C22H20N6)], the CdII ion is in a CdN6 coordination geometry which is intermediate between octahedral and trigonal–prismatic
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LH5181)
C22—H22C C23—N7 C23—S2 C24—N8 C24—S1 Cd1—N8 Cd1—N7 Cd1—N3 Cd1—N4 Cd1—N1 Cd1—N6 N1—N2 N5—N6
Summary
[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yljN2)-1,10-phenanthroline-j2N,N0]bis(thiocyanato-jN)cadmium(II) Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.006 A; R factor = 0.046; wR factor = 0.101; data-to-parameter ratio = 16.5. Crystal data [Cd(NCS)2(C22H20N6)] Mr = 597.00 Monoclinic, P21=n a = 8.1350 (15) Ab = 20.601 (4) Ac = 14.633 (3) A = 99.323 (3)
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