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[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-?N)-1,10-phenanthroline-?N,N']bis-(thio-cyanato-?N)cadmium(II).

ABSTRACT: In the title complex, [Cd(NCS)(2)(C(22)H(20)N(6))], the Cd(II) ion is in a CdN(6) coordination geometry which is inter-mediate between octa-hedral 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 ?-? stacking inter-action involving two symmetry-related pyrazole rings, with a centroid-centroid distance of 3.664?(3)?Å. In addition, there is a relatively short inter-molecular contact between C atoms [C?C = 3.399?(6)?Å] involving symmetry-related pyridine rings along the a axis.

SUBMITTER: Zheng LY

PROVIDER: S-EPMC3050342 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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[2,9-Bis(3,5-dimethyl-1H-pyrazol-1-yl-κN)-1,10-phenanthroline-κN,N']bis-(thio-cyanato-κN)cadmium(II).

Zheng Lu Yi LY Chi Yan Hui YH

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

In the title complex, [Cd(NCS)(2)(C(22)H(20)N(6))], the Cd(II) ion is in a CdN(6) coordination geometry which is inter-mediate between octa-hedral 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 inter-action involving two symmetry-related pyrazole rings, with a centroid-centroid distance of 3.664 (3) Å. In addition, there is a relatively short int ...[more]

PMID: 21522586

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