Cargando…
Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4) N}zinc–4-cyanopyridine (1/1)
In the title compound, [Zn(C(72)H(44)N(4)O(8))(C(6)H(4)N(2))]·C(6)H(4)N(2) or [Zn(TPBP)(4-CNpy]·(4-CNpy) [where TPBP and 4-CNpy are 5,10,15,20-(tetraphenylbenzoate)porphyrinate and 4-cyanopyridine, respectively], the Zn(II) cation is chelated by four pyrrole-N atoms of the porphyrinate anion and...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770980/ https://www.ncbi.nlm.nih.gov/pubmed/26958379 http://dx.doi.org/10.1107/S2056989016000062 |
_version_ | 1782418352197599232 |
---|---|
author | Nasri, Soumaya Amiri, Nesrine Turowska-Tyrk, Ilona Daran, Jean-Claude Nasri, Habib |
author_facet | Nasri, Soumaya Amiri, Nesrine Turowska-Tyrk, Ilona Daran, Jean-Claude Nasri, Habib |
author_sort | Nasri, Soumaya |
collection | PubMed |
description | In the title compound, [Zn(C(72)H(44)N(4)O(8))(C(6)H(4)N(2))]·C(6)H(4)N(2) or [Zn(TPBP)(4-CNpy]·(4-CNpy) [where TPBP and 4-CNpy are 5,10,15,20-(tetraphenylbenzoate)porphyrinate and 4-cyanopyridine, respectively], the Zn(II) cation is chelated by four pyrrole-N atoms of the porphyrinate anion and coordinated by a pyridyl-N atom of the 4-CNpy axial ligand in a distorted square-pyramidal geometry. The average Zn—N(pyrrole) bond length is 2.060 (6) Å and the Zn—N(4-CNpy) bond length is 2.159 (2) Å. The zinc cation is displaced by 0.319 (1) Å from the N(4)C(20) mean plane of the porphyrinate anion toward the 4-cyanopyridine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling and doming deformations. In the crystal, the [Zn(TPBP)(4-CNpy)] complex molecules are linked together via weak C—H⋯N, C—H⋯O and C—H⋯π interactions, forming supramolecular channels parallel to the c axis. The non-coordinating 4-cyanopyridine molecules are located in the channels and linked with the complex molecules, via weak C—H⋯N interactions and π-π stacking or via weak C—H⋯O and C—H⋯π interactions. The non-coordinating 4-cyanopyridine molecule is disordered over two positions with an occupancy ratio of 0.666 (4):0.334 (4). |
format | Online Article Text |
id | pubmed-4770980 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47709802016-03-08 Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4) N}zinc–4-cyanopyridine (1/1) Nasri, Soumaya Amiri, Nesrine Turowska-Tyrk, Ilona Daran, Jean-Claude Nasri, Habib Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [Zn(C(72)H(44)N(4)O(8))(C(6)H(4)N(2))]·C(6)H(4)N(2) or [Zn(TPBP)(4-CNpy]·(4-CNpy) [where TPBP and 4-CNpy are 5,10,15,20-(tetraphenylbenzoate)porphyrinate and 4-cyanopyridine, respectively], the Zn(II) cation is chelated by four pyrrole-N atoms of the porphyrinate anion and coordinated by a pyridyl-N atom of the 4-CNpy axial ligand in a distorted square-pyramidal geometry. The average Zn—N(pyrrole) bond length is 2.060 (6) Å and the Zn—N(4-CNpy) bond length is 2.159 (2) Å. The zinc cation is displaced by 0.319 (1) Å from the N(4)C(20) mean plane of the porphyrinate anion toward the 4-cyanopyridine axial ligand. This porphyrinate macrocycle exhibits major saddle and moderate ruffling and doming deformations. In the crystal, the [Zn(TPBP)(4-CNpy)] complex molecules are linked together via weak C—H⋯N, C—H⋯O and C—H⋯π interactions, forming supramolecular channels parallel to the c axis. The non-coordinating 4-cyanopyridine molecules are located in the channels and linked with the complex molecules, via weak C—H⋯N interactions and π-π stacking or via weak C—H⋯O and C—H⋯π interactions. The non-coordinating 4-cyanopyridine molecule is disordered over two positions with an occupancy ratio of 0.666 (4):0.334 (4). International Union of Crystallography 2016-01-13 /pmc/articles/PMC4770980/ /pubmed/26958379 http://dx.doi.org/10.1107/S2056989016000062 Text en © Nasri et al. 2016 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 | Research Communications Nasri, Soumaya Amiri, Nesrine Turowska-Tyrk, Ilona Daran, Jean-Claude Nasri, Habib Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4) N}zinc–4-cyanopyridine (1/1) |
title | Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc–4-cyanopyridine (1/1) |
title_full | Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc–4-cyanopyridine (1/1) |
title_fullStr | Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc–4-cyanopyridine (1/1) |
title_full_unstemmed | Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc–4-cyanopyridine (1/1) |
title_short | Crystal structure of (4-cyanopyridine-κN){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
N}zinc–4-cyanopyridine (1/1) |
title_sort | crystal structure of (4-cyanopyridine-κn){5,10,15,20-tetrakis[4-(benzoyloxy)phenyl]porphyrinato-κ(4)
n}zinc–4-cyanopyridine (1/1) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770980/ https://www.ncbi.nlm.nih.gov/pubmed/26958379 http://dx.doi.org/10.1107/S2056989016000062 |
work_keys_str_mv | AT nasrisoumaya crystalstructureof4cyanopyridinekn5101520tetrakis4benzoyloxyphenylporphyrinatok4nzinc4cyanopyridine11 AT amirinesrine crystalstructureof4cyanopyridinekn5101520tetrakis4benzoyloxyphenylporphyrinatok4nzinc4cyanopyridine11 AT turowskatyrkilona crystalstructureof4cyanopyridinekn5101520tetrakis4benzoyloxyphenylporphyrinatok4nzinc4cyanopyridine11 AT daranjeanclaude crystalstructureof4cyanopyridinekn5101520tetrakis4benzoyloxyphenylporphyrinatok4nzinc4cyanopyridine11 AT nasrihabib crystalstructureof4cyanopyridinekn5101520tetrakis4benzoyloxyphenylporphyrinatok4nzinc4cyanopyridine11 |