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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...

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Autores principales: Nasri, Soumaya, Amiri, Nesrine, Turowska-Tyrk, Ilona, Daran, Jean-Claude, Nasri, Habib
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
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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).
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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
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