Cargando…

Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data

The title Zn(II) complex, [Zn(NCS)(2)(C(20)H(21)N(3))], has been characterized by synchrotron single-crystal diffraction and FT–IR spectroscopy. The central Zn(II) ion has a distorted square-pyramidal coordination geometry, with three N atoms of the chiral (S) 1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl...

Descripción completa

Detalles Bibliográficos
Autores principales: Lee, Dong Won, Shin, Jong Won
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209761/
https://www.ncbi.nlm.nih.gov/pubmed/28083125
http://dx.doi.org/10.1107/S2056989016019253
_version_ 1782490790204801024
author Lee, Dong Won
Shin, Jong Won
author_facet Lee, Dong Won
Shin, Jong Won
author_sort Lee, Dong Won
collection PubMed
description The title Zn(II) complex, [Zn(NCS)(2)(C(20)H(21)N(3))], has been characterized by synchrotron single-crystal diffraction and FT–IR spectroscopy. The central Zn(II) ion has a distorted square-pyramidal coordination geometry, with three N atoms of the chiral (S) 1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine (S-ppme) ligand and one N atom of a thio­cyanate anion in the equatorial plane, and one N atom of another thio­cyanate anion at the apical position. The average Zn—N(S-ppme) and Zn—N(NCS) bond lengths are 2.183 (2) and 1.986 (2) Å, respectively. In the crystal, inter­molecular C—H⋯S hydrogen bonds and a face-to-face π–π inter­action [centroid–centroid distance = 3.482 (1) Å] link the mol­ecules and give rise to a supra­molecular sheet structure parallel to the ac plane.
format Online
Article
Text
id pubmed-5209761
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-52097612017-01-12 Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data Lee, Dong Won Shin, Jong Won Acta Crystallogr E Crystallogr Commun Research Communications The title Zn(II) complex, [Zn(NCS)(2)(C(20)H(21)N(3))], has been characterized by synchrotron single-crystal diffraction and FT–IR spectroscopy. The central Zn(II) ion has a distorted square-pyramidal coordination geometry, with three N atoms of the chiral (S) 1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine (S-ppme) ligand and one N atom of a thio­cyanate anion in the equatorial plane, and one N atom of another thio­cyanate anion at the apical position. The average Zn—N(S-ppme) and Zn—N(NCS) bond lengths are 2.183 (2) and 1.986 (2) Å, respectively. In the crystal, inter­molecular C—H⋯S hydrogen bonds and a face-to-face π–π inter­action [centroid–centroid distance = 3.482 (1) Å] link the mol­ecules and give rise to a supra­molecular sheet structure parallel to the ac plane. International Union of Crystallography 2017-01-01 /pmc/articles/PMC5209761/ /pubmed/28083125 http://dx.doi.org/10.1107/S2056989016019253 Text en © Lee and Shin 2017 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
Lee, Dong Won
Shin, Jong Won
Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data
title Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data
title_full Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data
title_fullStr Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data
title_full_unstemmed Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data
title_short Crystal structure of {(S)-1-phenyl-N,N-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) N,N′,N′′}bis­(thio­cyanato-κN)zinc from synchrotron data
title_sort crystal structure of {(s)-1-phenyl-n,n-bis­[(pyridin-2-yl)meth­yl]ethanamine-κ(3) n,n′,n′′}bis­(thio­cyanato-κn)zinc from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209761/
https://www.ncbi.nlm.nih.gov/pubmed/28083125
http://dx.doi.org/10.1107/S2056989016019253
work_keys_str_mv AT leedongwon crystalstructureofs1phenylnnbispyridin2ylmethylethanaminek3nnnbisthiocyanatoknzincfromsynchrotrondata
AT shinjongwon crystalstructureofs1phenylnnbispyridin2ylmethylethanaminek3nnnbisthiocyanatoknzincfromsynchrotrondata