Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 7 (July 2007)


organic compounds



ln3055 scheme

Acta Cryst. (2007). C63, o395-o399    [ doi:10.1107/S0108270107024936 ]

Hydrogen-bonded assemblies of 20-(4-pyridyl)porphyrin-54,104,154-tribenzoic acid with dimethyl sulfoxide and 4-acetylpyridine in their dimethyl sulfoxide and tetrahydrofuran solvates

S. Muniappan, S. Lipstman and I. Goldberg

Abstract: Crystals of the title compounds, 20-(4-pyridyl)porphyrin-54,104,154-tribenzoic acid-dimethyl sulfoxide (2/5), C46H29N5O6·2.5C2H6OS, (I), and 20-(4-pyridyl)porphyrin-54,104,154-tribenzoic acid-4-acetylpyridine-tetrahydrofuran (1/2/10), C46H29N5O6·2C7H7NO·10C4H8O, (II), consist of hydrogen-bonded supramolecular chains of porphyrin units solvated by molecules of dimethyl sulfoxide [in (I)] and 4-acetylpyridine [in (II)]. In (I), these chains consist of heterogeneous arrays with alternating porphyrin and dimethyl sulfoxide species, being sustained by COOH...O=S hydrogen bonds. They adopt a zigzag geometry and link on both sides to additional molecules of dimethyl sulfoxide. In (II), the chains consist of homogeneous linear supramolecular arrays of porphyrin units, which are directly connected to one another via COOH...N(pyridyl) hydrogen bonds. As in the previous case, these arrays are solvated on both sides by molecules of the 4-acetylpyridine ligand via similar COOH(porphyrin)...N(ligand) hydrogen bonds. The two crystal structures contain wide interporphyrin voids, which accommodate disordered/diffused solvent molecules, viz. dimethyl sulfoxide in (I) and tetrahydrofuran in (II).

Formula: C46H29N5O6·2.5C2H6OS and C46H29N5O6·2C7H7NO·10C4H8O


hkldisplay filedownload file

Structure factor file (CIF format) (577.3 kbytes)
[ doi:10.1107/S0108270107024936/ln3055Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (494.3 kbytes)
[ doi:10.1107/S0108270107024936/ln3055IIsup3.hkl ]
Contains datablock II


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