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5,15-Bis(4-pentyl-oxyphen-yl)porphyrin.

ABSTRACT: In the title compound, C42H42N4O2, the complete molecule is generated by a crystallographic inversion centre. The porphyrin system exhibits a near planar macrocycle conformation with an average deviation from the least-squares plane of the 24 macrocycle atoms of 0.037?(5)?Å. The phenyl ipso C atoms are positioned above and below the porphyrin plane by 0.35?(1)?Å and the macrocycle shows evidence of in-plane rectangular elongation with N?N separations of 3.032?(5) and 2.803?(5)?Å. Two intramolecular N-H?N hydrogen bonds occur.

SUBMITTER: Senge MO

PROVIDER: S-EPMC3772480 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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5,15-Bis(4-pentyl-oxyphen-yl)porphyrin.

Senge Mathias O MO

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

In the title compound, C42H42N4O2, the complete molecule is generated by a crystallographic inversion centre. The porphyrin system exhibits a near planar macrocycle conformation with an average deviation from the least-squares plane of the 24 macrocycle atoms of 0.037 (5) Å. The phenyl ipso C atoms are positioned above and below the porphyrin plane by 0.35 (1) Å and the macrocycle shows evidence of in-plane rectangular elongation with N⋯N separations of 3.032 (5) and 2.803 (5) Å. Two intramolecu ...[more]

PMID: 24046623

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