Crystal structure of 5,15-bis(4-methylphenyl)-10,20-bis(4-nitrophenyl)porphyrin nitrobenzene disolvate

Abstract

The whole molecule of the title porphyrin, C46H32N6O4·2C6H5NO2, which crystallized as a nitrobenzene disolvate, is generated by inversion symmetry. The porphyrin macrocycle is almost planar, the maximum deviation from the mean plane of the non-hydrogen atoms is 0.097 (2) Å. The aryl rings at the meso positions are inclined to this mean plane by 74.84 (6)° for the nitrophenyl rings and 73.37 (7)° for the tolyl rings. In the crystal, the porphyrin molecules are linked by C—H...O hydrogen bonds, forming chains along [100]. The solvent molecules are also linked by C—H...O hydrogen bonds, forming chains along [100]. Interdigitation of the p-tolyl groups along the c axis creates rectangular channels in which the solvent molecules are located.

Keywords

• crystal structure
• porphyrins
• solvate
• C—H...O hydrogen bonding