Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)


metal-organic compounds



is5019 scheme

Acta Cryst. (2012). E68, m23-m24    [ doi:10.1107/S1600536811052214 ]

(12,17-Diethoxycarbonyl-11,18-dimethyl-2,3:6,7-dibutanocorrphycenato)copper(II)-12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene (3/97)

Y. Ohgo, Y. Yokoyama, D. Hashizume, S. Neya and M. Nakamura

Abstract: The corrphycene molecule of the title compound, [Cu(C36H36N4O4)]0.034.0.966C36H38N4O4, has an essentially planar macrocyclic framwork with a slightly distorted trapezoidal N4 core; the r.m.s. deviation of the peripheral 20 C atoms and four N atoms is 0.054 (3) Å. The surface area within the N4-coordinating core (8.358 Å2) is significantly smaller than that (8.503 Å2) of the corresponding free-base porphyrin. Two intramolecular N-H...N hydrogen bonds are observed. Detailed structure analysis clarified that the co-crystallization of the free-base corrphycene together with a quite minor component (ca 3%) of corrphycenato-CuII occurred in the recrystallization process.


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