(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

doi:10.1107/S1600536811052214

(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 journal › Article › peer-review

2 Citations (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 language	English
Pages (from-to)	m23-m24
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	68
Issue number	1
DOIs	https://doi.org/10.1107/S1600536811052214
Publication status	Published - 2012 Jan
Externally published	Yes

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

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

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10.1107/S1600536811052214

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(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 et al.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. 68, No. 1, 01.2012, p. m23-m24.

Research output: Contribution to journal › Article › peer-review

@article{935633b7c4764090966b5a60822a7a80,

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",

year = "2012",

month = jan,

doi = "10.1107/S1600536811052214",

language = "English",

volume = "68",

pages = "m23--m24",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "1",

}

TY - JOUR

T1 - (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)

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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U2 - 10.1107/S1600536811052214

DO - 10.1107/S1600536811052214

M3 - Article

C2 - 22259329

AN - SCOPUS:84855390028

SN - 1600-5368

VL - 68

SP - m23-m24

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 1

ER -

(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

Keywords

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