Issue 11, 1980

Crystal structure of vanadyl phthalocyanine, phase II

Abstract

The crystal structure of the title compound has been determined from three-dimensional X-ray diffractometer data. Crystals are triclinic, space group P[1 with combining macron], with Z= 2 in a unit cell of dimensions a= 12.027(6), b= 12.571(8), c= 8.690(5)Å, α= 96.04(5), β= 94.80(5), and γ= 68.20(5)°. The structure was solved by direct and Fourier methods and refined by least-squares techniques to R(on F)= 0.062 for 3 042 independent reflections having Fo2 > 3σ(Fo2). The compound [VO(pc)] is molecular with point-group symmetry C1 and is non-planar with all pc atoms below the isoindole nitrogen-atom plane. Vanadium has a five-co-ordinate square-pyramidal geometry and is 0.575(1)Å above the plane. The V–O distance is 1.580(3)Å; the mean V–N distance is 2.026(7)Å. The compound is composed of sheets of approximately parallel and overlapping [VO(pc)] molecules. Intermolecular contacts occur with three nearest neighbours. The closest intermolecular approach is 3.208 Å(N ⋯ N) while the shortest centroid–centroid distance is 5.378 Å. Dimers are absent.

Article information

Article type
Paper

J. Chem. Soc., Dalton Trans., 1980, 2300-2302

Crystal structure of vanadyl phthalocyanine, phase II

R. F. Ziolo, C. H. Griffiths and J. M. Troup, J. Chem. Soc., Dalton Trans., 1980, 2300 DOI: 10.1039/DT9800002300

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