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[meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II)
The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0 (3)–18...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343861/ https://www.ncbi.nlm.nih.gov/pubmed/22589835 http://dx.doi.org/10.1107/S1600536812011671 |
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author | Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Prasath, R. |
collection | PubMed |
description | The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0 (3)–18.8 (3)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 13.08 (15) and 13.45 (11)°; each pair of rings is orientated in opposite directions. The bromothienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 51.7 (2)–74.65 (19)°. Supramolecular chains along [001] are formed through C—H⋯Br interactions in the crystal packing. Three of the four bromothienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691 (3), 0.738 (3) and 0.929 (9) fractions. |
format | Online Article Text |
id | pubmed-3343861 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33438612012-05-15 [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The Ni(II) atom in the title porphyrin complex, [Ni(C(36)H(16)Br(4)N(4)S(4))], is in a square-planar geometry defined by four pyrrole N atoms. There is considerable buckling in the porphyrin ring with the dihedral angles between the N(4) donor set and the pyrrole rings being in the range 17.0 (3)–18.8 (3)°. Each of the six-membered chelate rings is twisted about an Ni—N bond and the dihedral angles between diagonally opposite chelate rings are 13.08 (15) and 13.45 (11)°; each pair of rings is orientated in opposite directions. The bromothienyl rings are twisted out of the plane of the central N(4) core with dihedral angles in the range 51.7 (2)–74.65 (19)°. Supramolecular chains along [001] are formed through C—H⋯Br interactions in the crystal packing. Three of the four bromothienyl units are disordered over two coplanar positions of opposite orientation with the major components being in 0.691 (3), 0.738 (3) and 0.929 (9) fractions. International Union of Crystallography 2012-03-24 /pmc/articles/PMC3343861/ /pubmed/22589835 http://dx.doi.org/10.1107/S1600536812011671 Text en © Prasath et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Metal-Organic Papers Prasath, R. Bhavana, P. Ng, Seik Weng Tiekink, Edward R. T. [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4) N,N′,N′′,N′′′]nickel(II) |
title | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4)
N,N′,N′′,N′′′]nickel(II) |
title_full | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4)
N,N′,N′′,N′′′]nickel(II) |
title_fullStr | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4)
N,N′,N′′,N′′′]nickel(II) |
title_full_unstemmed | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4)
N,N′,N′′,N′′′]nickel(II) |
title_short | [meso-5,10,15,20-Tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4)
N,N′,N′′,N′′′]nickel(II) |
title_sort | [meso-5,10,15,20-tetrakis(5-bromothiophen-2-yl)porphyrinato-κ(4)
n,n′,n′′,n′′′]nickel(ii) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343861/ https://www.ncbi.nlm.nih.gov/pubmed/22589835 http://dx.doi.org/10.1107/S1600536812011671 |
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