The title complex, [Cu(C68H44N4)]·C2H2Cl4, exhibits nearly square-planar geometry around the CuII centre and the macrocyclic ring is almost planar. The porphyrin mol-ecule has an approximate non-crystallographic inversion centre (Ci ), and a non-crystallographic twofold rotation axis (C 2) within the CuII-porphyrin ring plane. Further, it has non-crystallographic twofold rotation axis and mirror plane (Cs ) symmetry perpendicular to the mol-ecular plane. The mol-ecular packing of the complexes and the solvent molecules shows weak inter-molecular C - H⋯π, C - H⋯Cl and C - H⋯N inter-actions, forming a clathrate-like structure.

Puttaiah Bhyrappa

Department Of Chemistry

Karuppaiah Karunanithi

Babu Varghese

Tetra

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(2,3,5,10,12,13,15,20-Octa­phenyl­porphinato)copper(II) 1,1,2,2-tetra­chloro­ethane solvate

Acta Crystallographica Section E: Structure Reports Online

A new family of unsymmetrically mixed β-octasubstituted porphyrins, H2TPP(Ph)3X5 (X = H, Cl, Br and CH3), and their metal complexes were synthesized. These porphyrins feature red-shifted electronic absorption bands, depending on the nature of the 'X' group and following the trend: H &lt; CH3 &lt; Cl &lt; Br. The crystal structures of the NiTPP(Ph)3X5 complexes reveal an enhanced distortion of the macrocycle, as evidenced from root-mean square (r.m.s.) values, and it varies with the size of X (H, 0.407(2) Å; CH3, 0.700(2) Å). Similarly, the structure of CuTPP(Ph)3(CH3)5 showed an enhanced distortion (r.m.s. = 0.599(4) Å) of the macrocycle. Normal-coordinate structure decomposition analysis of the crystal structures revealed mainly saddling (40-78%) and ruffling (15-51%) deformations. The electrochemical properties of these derivatives generally exhibited an anodic shift of the redox potentials and the HOMO-LUMO gap determined from the redox data correlates reasonably well with the longest wavelength absorption spectral data. © 2014 Elsevier Ltd.

Polyhedron

Unsymmetrically mixed β-octasubstituted meso-tetraphenylporphyrins: Structural and electrochemical redox properties

(2,3,5,10,12,13,15,20-Octaphenylporphinato)copper(II) 1,1,2,2-tetra- chloroethane solvate

Journal	Acta Crystallographica Section E: Structure Reports Online
ISSN	16005368
Open Access	Yes