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5,15-Bis(3,5-di-tert-butyl-phen-yl)-10,20-bis-(phenyl-ethyn-yl)porphyrin.

ABSTRACT: In the centrosymmetric title compound, C(64)H(62)N(4), the two phenyl-ethynyl groups lie at diagonal meso positions. The 24-membered porphyrin has in-plane distortion with respect to the mean plane of the macrocycle and two intra-ring bifurcated N-H?(N,N) hydrogen bonds occur. The dihedral angles between the phenyl rings in the phenyl-ethynyl group and the 3,5-bis-(tert-but-yl)phenyl group with respect to the mean plane of the porphyrin are 17.2?(2) and 59.2?(3)°. The tert-butyl groups are disordered over two sets of sites in a 0.661?(13):0.339?(13) ratio.

SUBMITTER: Kim HJ

PROVIDER: S-EPMC2972159 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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5,15-Bis(3,5-di-tert-butyl-phen-yl)-10,20-bis-(phenyl-ethyn-yl)porphyrin.

Kim Hee Jung HJ Singh Atul P AP Kim Hee-Joon HJ

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

In the centrosymmetric title compound, C(64)H(62)N(4), the two phenyl-ethynyl groups lie at diagonal meso positions. The 24-membered porphyrin has in-plane distortion with respect to the mean plane of the macrocycle and two intra-ring bifurcated N-H⋯(N,N) hydrogen bonds occur. The dihedral angles between the phenyl rings in the phenyl-ethynyl group and the 3,5-bis-(tert-but-yl)phenyl group with respect to the mean plane of the porphyrin are 17.2 (2) and 59.2 (3)°. The tert-butyl groups are disor ...[more]

PMID: 21578743

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