(12,17-diethoxycarbonyl-11,18-dimethyl-2,3

6,7-dibutanocorrphycenato) copper(II)-12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene(3/ 97)

Yoshiki Ohgo, Yuki Yokoyama, Daisuke Hashizume, Saburo Neya, Mikio Nakamura

Research output: Contribution to journalArticle

1 Citation (Scopus)

Abstract

The corrphycene molecule of the title compound, [Cu(C 36H 36- N 4O 4)] 0.034.0.966C 36H 38N 4O 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 intramolecular 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.

Original languageEnglish
JournalActa Crystallographica Section E: Structure Reports Online
Volume68
Issue number1
DOIs
Publication statusPublished - 2012 Jan

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Copper
copper
Atoms
Porphyrins
Crystallization
porphyrins
atoms
Hydrogen bonds
crystallization
hydrogen bonds
deviation
Molecules
molecules
corrphycene

Keywords

  • Data-to-parameter ratio = 16.2
  • Disorder in main residue
  • Mean σ(C-C) = 0.004 Å
  • R factor = 0.072
  • Single-crystal X-ray study
  • T = 296 K
  • wR factor = 0.246

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

(12,17-diethoxycarbonyl-11,18-dimethyl-2,3 : 6,7-dibutanocorrphycenato) copper(II)-12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene(3/ 97). / Ohgo, Yoshiki; Yokoyama, Yuki; Hashizume, Daisuke; Neya, Saburo; Nakamura, Mikio.

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 1, 01.2012.

Research output: Contribution to journalArticle

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title = "(12,17-diethoxycarbonyl-11,18-dimethyl-2,3: 6,7-dibutanocorrphycenato) copper(II)-12,17-diethoxycarbonyl-11,18-dimethyl-2:3,6:7-dibutanocorrphycene(3/ 97)",
abstract = "The corrphycene molecule of the title compound, [Cu(C 36H 36- N 4O 4)] 0.034.0.966C 36H 38N 4O 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) {\AA}. The surface area within the N 4 - coordinating core (8.358 {\AA} 2) is significantly smaller than that (8.503 {\AA} 2) of the corresponding free-base porphyrin. Two intramolecular 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.",
keywords = "Data-to-parameter ratio = 16.2, Disorder in main residue, Mean σ(C-C) = 0.004 {\AA}, R factor = 0.072, Single-crystal X-ray study, T = 296 K, wR factor = 0.246",
author = "Yoshiki Ohgo and Yuki Yokoyama and Daisuke Hashizume and Saburo Neya and Mikio Nakamura",
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AU - Ohgo, Yoshiki

AU - Yokoyama, Yuki

AU - Hashizume, Daisuke

AU - Neya, Saburo

AU - Nakamura, Mikio

PY - 2012/1

Y1 - 2012/1

N2 - The corrphycene molecule of the title compound, [Cu(C 36H 36- N 4O 4)] 0.034.0.966C 36H 38N 4O 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 intramolecular 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.

AB - The corrphycene molecule of the title compound, [Cu(C 36H 36- N 4O 4)] 0.034.0.966C 36H 38N 4O 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 intramolecular 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.

KW - Data-to-parameter ratio = 16.2

KW - Disorder in main residue

KW - Mean σ(C-C) = 0.004 Å

KW - R factor = 0.072

KW - Single-crystal X-ray study

KW - T = 296 K

KW - wR factor = 0.246

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