Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 9 (September 2013)


metal-organic compounds



fg3302 scheme

Acta Cryst. (2013). C69, 1013-1016    [ doi:10.1107/S0108270113020209 ]

Intermolecular iodine-iodine interactions in bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV)

H. M. Titi, R. Patra and I. Goldberg

Abstract: Crystals of bis(pyridine-3-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate, [Sn(C44H24I4N4)(C6H4NO2)2]·1.5C3H7NO, (I), and bis(pyrimidine-5-carboxylato)[tetrakis(4-iodophenyl)porphyrinato]tin(IV) dimethylformamide sesquisolvate, [Sn(C44H24I4N4)(C5H3N2O2)2]·1.5C3H7NO, (II), exhibit interporphyrin iodine-iodine halogen bonds, which direct the supramolecular assembly of the porphyrin entities into halogen-bonded layers. Each molecule interacts with its four nearest neighbours within the layer via eight I...I interactions at approximately 3.8 and 4.0 Å. The two structures are isomorphous and isometric, with the metalloporphyrin complexes located on centres of crystallographic inversion.

Formula: [Sn(C44H24I4N4)(C6H4NO2)2]·1.5C3H7NO and [Sn(C44H24I4N4)(C5H3N2O2)2]·1.5C3H7NO

Keywords: crystal structure; iodine-iodine interactions; tetrakis(4-iodophenyl)porphyrins; halogen bonds.


hkldisplay filedownload file

Structure factor file (CIF format) (355.4 kbytes)
[ doi:10.1107/S0108270113020209/fg3302Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (368.7 kbytes)
[ doi:10.1107/S0108270113020209/fg3302IIsup3.hkl ]
Contains datablock II


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