Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1783323866810023936 |
---|---|
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. |
format | Online Article Text |
id | pubmed-5956327 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT pocinhoalexandre crystalstructureofcatenapolydichloridocopperiimtertbutylnmethyln464pyridin2ylkn1h123triazol1ylkn3methyl13benzothiazol2ylphenylcarbamatoacetonitrilemonosolvate AT duhayoncarine crystalstructureofcatenapolydichloridocopperiimtertbutylnmethyln464pyridin2ylkn1h123triazol1ylkn3methyl13benzothiazol2ylphenylcarbamatoacetonitrilemonosolvate AT grasemmanuel crystalstructureofcatenapolydichloridocopperiimtertbutylnmethyln464pyridin2ylkn1h123triazol1ylkn3methyl13benzothiazol2ylphenylcarbamatoacetonitrilemonosolvate AT hureauchristelle crystalstructureofcatenapolydichloridocopperiimtertbutylnmethyln464pyridin2ylkn1h123triazol1ylkn3methyl13benzothiazol2ylphenylcarbamatoacetonitrilemonosolvate |