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.
Highlights
Molecules of the title compound, C52H38N4O8, are located on an inversion center so that the asymmetric cell contains one half of the molecule
The porphyrin conformation is supported by bifurcated N—H (N,N) hydrogen bonds
As the solvent could not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient
Summary
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). As the solvent could not be identified exactly, it was not included in the calculation of the overall formula weight, density and absorption coefficient
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