Abstract
The asymmetric unit of the title nickel(II) porphyrin, [Ni(C48H60N4O2)], contains one independent mol-ecule. The average Ni-N bond length is 1.917 (13) Å. The mol-ecules are arranged in a closely spaced lattice structure in which neighbouring porphyrins are oriented in inversion-related dimers. The nickel(II) porphyrin is characterized by a significant degree of a ruffled (B 1u ) conformation with small contributions from saddle (B 2u ) and wave (y) [Eg (y)], as determined using normal structural decomposition. Disorder in the 2,5-di--meth-oxy-phenyl substituent was modelled over two positions with a 60% occupancy for the major moiety. One of the ethyl groups is also disordered over two positions and was modelled with the major moiety being present in 51.3% occupancy.
Highlights
College of Engineering and Technology, Melathediyoor, Tirunelveli 627 152, India. *Correspondence e-mail: The asymmetric unit of the title nickel(II) porphyrin, [Ni(C48H60N4O2)], contains one independent molecule
The nickel(II) porphyrin is characterized by a significant degree of a ruffled (B1u) conformation with small contributions from saddle (B2u) and wave (y) [Eg(y)], as determined using normal structural decomposition
One of the ethyl groups is disordered over two positions and was modelled with the major moiety being present in 51.3%
Summary
The structural chemistry of porphyrin metal complexes is one of the largest explored areas of coordination chemistry. Substituted porphyrins (octa-, nano-, deca-, undeca- and dodecasubstitued porphyrins) are of specific interest due to the increased nonplanarity which results in the alteration of photophysical properties due to distortions within the macrocyclic ring. Non-planar porphyrins have significantly lower fluorescence yields, larger Stokes shifts and a shorter lifetime of the lowest excited state than planar ones (Röder et al, 2010). This has resulted in the synthesis and structure of numerous highly substituted porphyrins for biomimetic studies (Senge, 2006; Senge et al, 2015).
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