[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3462-o3463
[ doi:10.1107/S1600536812047332 ]

5,10,15,20-Tetrakis(4-acetyloxyphenyl)porphyrin including an unknown solvate

M. D. Miranda, M. Ramos Silva, T. M. R. Maria, A. Balakrishna and A. J. F. N. Sobral

Abstract: Molecules of the title compound, C52H38N4O8, are located on an inversion center so that the asymmetric cell contains one half of the molecule. The macrocycle exhibits a ruffled conformation with a maximum deviation of 0.16 Å for the 24 macrocycle atoms: the dihedral angle between adjacent five-membered rings is 5.13 (19)°. The benzene rings are rotated by 70.25 (19)° with respect to their adjacent protonated five-membered rings, and by 65.56 (19)° with respect to the unprotonated rings. The porphyrin conformation is supported by bifurcated N-H...(N,N) hydrogen bonds. The structure contained poorly resolved solvent molecules in voids of volume 217 Å3 per unit cell. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148-155]. As the solvent could not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient.


Copyright © International Union of Crystallography
IUCr Webmaster