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(12,17-Dieth-oxy-carbonyl-11,18-dimethyl-2,3:6,7-dibutano-corrphycenato)copper(II)-12,17-dieth-oxy-carbonyl-11,18-dimethyl-2:3,6:7-dibutano-corrphycene (3/97).


ABSTRACT: The corrphycene mol-ecule of the title compound, [Cu(C(36)H(36)N(4)O(4))](0.034).0.966C(36)H(38)N(4)O(4), has an essentially planar macrocyclic framwork with a slightly distorted trapezoidal N(4) core; the r.m.s. deviation of the peripheral 20?C atoms and four N atoms is 0.054?(3)?Å. The surface area within the N(4)-coordinating core (8.358?Å(2)) is significantly smaller than that (8.503?Å(2)) of the corresponding free-base porphyrin. Two intra-molecular N-H?N hydrogen bonds are observed. Detailed structure analysis clarified that the co-crystallization of the free-base corrphycene together with a quite minor component (ca 3%) of corrphycenato-Cu(II) occurred in the recrystallization process.

SUBMITTER: Ohgo Y 

PROVIDER: S-EPMC3254300 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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(12,17-Dieth-oxy-carbonyl-11,18-dimethyl-2,3:6,7-dibutano-corrphycenato)copper(II)-12,17-dieth-oxy-carbonyl-11,18-dimethyl-2:3,6:7-dibutano-corrphycene (3/97).

Ohgo Yoshiki Y   Yokoyama Yuki Y   Hashizume Daisuke D   Neya Saburo S   Nakamura Mikio M  

Acta crystallographica. Section E, Structure reports online 20111210 Pt 1


The corrphycene mol-ecule of the title compound, [Cu(C(36)H(36)N(4)O(4))](0.034).0.966C(36)H(38)N(4)O(4), has an essentially planar macrocyclic framwork with a slightly distorted trapezoidal N(4) core; the r.m.s. deviation of the peripheral 20 C atoms and four N atoms is 0.054 (3) Å. The surface area within the N(4)-coordinating core (8.358 Å(2)) is significantly smaller than that (8.503 Å(2)) of the corresponding free-base porphyrin. Two intra-molecular N-H⋯N hydrogen bonds are observed. Detail  ...[more]

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