abstract
The asymmetric unit of the title compound, C(44)H(38)N(82)(+) center dot- 4I center dot 4H(2)O, comprises two halves of non-equivalent cations of 5,10,15,20-tetrakis(1-methylpyridinium) porphyrin (with the full molecule of each completed by the application of inversion symmetry), four charge balancing iodide anions and four water molecules of crystallization (two water molecules are fully occupied and four molecules have a site occupancy of 50%). The porphyrin cations are arranged into supramolecular columns parallel to the b axis, mediated by pi-pi [centroid-centroid distance = 3.762 (4) angstrom] and C-H center dot center dot center dot pi supramolecular interactions [C center dot center dot center dot centroid distance = 3.522 (7) angstrom, C-H center dot center dot center dot centroid = 128 degrees], leading to the formation of columns parallel to the b axis. The close packing leads to the presence of a one-dimensional channel filled with partially occupied water molecules engaged in O-H center dot center dot center dot O and O-H center dot center dot center dot I hydrogen bonds
keywords
GRAM-POSITIVE BACTERIA; ANTIBACTERIAL ACTIVITY; CATIONIC PORPHYRINS; TRIMESIC ACID; PHOTOSENSITIZERS
subject category
Crystallography
authors
Lourenco, LMO; Fernandes, JA; Neves, MGPMS; Cavaleiro, JAS; Tome, JPC; Paz, FAA
our authors
Filipe Alexandre Almeida Paz
Principal Researcher
José Alberto Pires Fernandes
Post-doc Fellowshipacknowledgements
We are grateful to Fundacao para a Ciencia e a Tecnologia (FCT, Portugal) for their general financial support through the R&D project PTDC/QUI/65228/2006, for the PhD and post-doctoral research grants Nos. SFRH/BD/64526/2009 (to LMOL) and SFRH/BPD/63736/2009 (to JAF), and for specific funding toward the purchase of the single-crystal diffractometer.