Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 5 (May 2013)


metal-organic compounds



lg3106 scheme

Acta Cryst. (2013). C69, 498-502    [ doi:10.1107/S0108270113009773 ]

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

J. A. Krause, D. Zhao, S. Chatterjee, B. M. Yeung, W. B. Connick and S. N. Collins

Abstract: Different extended packing motifs of dichlorido[2-(pyridin-2-yl)-1,10-phenanthroline]copper(II), [CuCl2(C17H11N3)], 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 centre is in a five-coordinate distorted square-pyramidal geometry. The extended packing for both forms can be described as a highly offset [pi]-stacking arrangement, with interlayer distances of 3.674 (3) and 3.679 (3) Å for forms (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 cocrystal, 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 [pi]-[pi] interactions in a parallel face-to-face arrangement, with an interlayer stacking distance of 3.4960 (14) Å.

Formula: Two polymorphs of [CuCl2(C17H11N3)], and C9H18NO+·PF6-·C17H11N3


hkldisplay filedownload file

Structure factor file (CIF format) (125.0 kbytes)
[ doi:10.1107/S0108270113009773/lg3106Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (126.6 kbytes)
[ doi:10.1107/S0108270113009773/lg3106IIsup3.hkl ]
Contains datablock II


hkldisplay filedownload file

Structure factor file (CIF format) (248.8 kbytes)
[ doi:10.1107/S0108270113009773/lg3106IIIsup4.hkl ]
Contains datablock III


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