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Title: X-ray and Synchrotron Diffraction Studies of 2-(Pyridin-2-yl)-1,10- Phenanthroline in the Role of Ligand for Two Copper Polymorphs or Hydrogen bonded with 2,2,6,6-Tetramethyl-4-oxopiperidinium Hexafluorophosphate

Different extended packing motifs of dichloro-[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II), CuCl2 (C17H11N3Cl2) are obtained depending on the crystallization conditions. A triclinic form (I) is obtained from dimethylformamide-diethyl ether or methanol whereas crystallization from dimethylformamide-water yields a monoclinic form (II). In each case, the CuII center is in a 5-coordinate, distorted square-pyramidal geometry. The extended packing for both forms can be described as a highly-offset π stacking arrangement with interlayer distances of 3.674 (3) and 3.679 (3) Å for (I) and (II), respectively. The reaction of diprotonated Pt(tmpip2NCN)Cl (tmpip2NCN = 2,6-bis(2,2,6,6-tetramethylpiperidylmethyl)- benzyl) with AgPF6 under acidic conditions followed by the addition of 2-(pyridin-2-yl)-1,10-phenanthroline, results in a hydrogen bonded co-crystal, 2,2,6,6-tetramethyl-4-oxopiperidinium hexafluorophosphate- 2-(pyridin-2-yl)-1,10-phenanthroline (1/1),C9H18NO+.PF6-.C17H11N3.(III). The extended packing maximizes π-π interactions in a parallel, faceto-face arrangement with an interlayer stacking distance of 3.4960 (14) Å.
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Journal Article
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Journal Name: Acta Crystallographica. Section C, Crystal structure communications, 69(Pt. 5):498-502
Research Org:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US)
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Country of Publication:
United States
X-ray; synchrotron; crystal structure; copper complexes