[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][CIF check Report][Issue contents]  [Open access]

[Contents 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.

Online 10 December 2011


Copyright © International Union of Crystallography
IUCr Webmaster