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Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]

In the title coordination polymer, {[CuCl(2)(C(27)H(26)N(6)O(2)S)]·CH(3)CN}(n), the copper(II) ion is fivefold coordinated, with an almost perfect square-pyramidal coordination sphere. In the equatorial plane, it is ligated to a pyridine N atom and an N atom of the triazole unit and to two Cl(−) ion...

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Autores principales: Pocinho, Alexandre, Duhayon, Carine, Gras, Emmanuel, Hureau, Christelle
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956327/
https://www.ncbi.nlm.nih.gov/pubmed/29850044
http://dx.doi.org/10.1107/S2056989018000488
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author Pocinho, Alexandre
Duhayon, Carine
Gras, Emmanuel
Hureau, Christelle
author_facet Pocinho, Alexandre
Duhayon, Carine
Gras, Emmanuel
Hureau, Christelle
author_sort Pocinho, Alexandre
collection PubMed
description In the title coordination polymer, {[CuCl(2)(C(27)H(26)N(6)O(2)S)]·CH(3)CN}(n), the copper(II) ion is fivefold coordinated, with an almost perfect square-pyramidal coordination sphere. In the equatorial plane, it is ligated to a pyridine N atom and an N atom of the triazole unit and to two Cl(−) ions, while the apical position is occupied by the carbonyl O atom of the tert-butyl carbamate group. In the crystal, the polymer chains propagate in the [11-1] direction, with the aceto­nitrile solvent mol­ecules linked to the chain by C—H⋯N hydrogen bonds. The chains are linked by C—H⋯Cl hydrogen bonds forming sheets parallel to the plane (011). The crystal packing is further consolidated by C—H⋯π inter­actions and offset π–π stacking inter­actions [inter­centroid distance = 3.6805 (15) Å], forming a three-dimensional supra­molecular structure.
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spelling pubmed-59563272018-05-30 Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate] Pocinho, Alexandre Duhayon, Carine Gras, Emmanuel Hureau, Christelle Acta Crystallogr E Crystallogr Commun Research Communications In the title coordination polymer, {[CuCl(2)(C(27)H(26)N(6)O(2)S)]·CH(3)CN}(n), the copper(II) ion is fivefold coordinated, with an almost perfect square-pyramidal coordination sphere. In the equatorial plane, it is ligated to a pyridine N atom and an N atom of the triazole unit and to two Cl(−) ions, while the apical position is occupied by the carbonyl O atom of the tert-butyl carbamate group. In the crystal, the polymer chains propagate in the [11-1] direction, with the aceto­nitrile solvent mol­ecules linked to the chain by C—H⋯N hydrogen bonds. The chains are linked by C—H⋯Cl hydrogen bonds forming sheets parallel to the plane (011). The crystal packing is further consolidated by C—H⋯π inter­actions and offset π–π stacking inter­actions [inter­centroid distance = 3.6805 (15) Å], forming a three-dimensional supra­molecular structure. International Union of Crystallography 2018-01-12 /pmc/articles/PMC5956327/ /pubmed/29850044 http://dx.doi.org/10.1107/S2056989018000488 Text en © Pocinho et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Pocinho, Alexandre
Duhayon, Carine
Gras, Emmanuel
Hureau, Christelle
Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]
title Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]
title_full Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]
title_fullStr Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]
title_full_unstemmed Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]
title_short Crystal structure of catena-poly[[[di­chlorido­copper(II)]-{μ-tert-butyl N-methyl-N-[4-(6-{[4-(pyridin-2-yl-κN)-1H-1,2,3-triazol-1-yl-κN (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]
title_sort crystal structure of catena-poly[[[di­chlorido­copper(ii)]-{μ-tert-butyl n-methyl-n-[4-(6-{[4-(pyridin-2-yl-κn)-1h-1,2,3-triazol-1-yl-κn (3)]meth­yl}-1,3-benzo­thia­zol-2-yl)phen­yl]carbamato}] aceto­nitrile monosolvate]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956327/
https://www.ncbi.nlm.nih.gov/pubmed/29850044
http://dx.doi.org/10.1107/S2056989018000488
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