Cargando…

Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1)

The title compound, [Hg(3)(C(6)F(4))(3)]·C(6)N(4), contains one mol­ecule of tetra­cyano­ethyl­ene B per one mol­ecule of mercury macrocycle A, i.e., A•B, and crystallizes in the monoclinic space group C2/c. Macrocycle A and mol­ecule B both occupy special positions on a twofold rotation axis and th...

Descripción completa

Detalles Bibliográficos
Autores principales: Castañeda, Raúl, Timofeeva, Tatiana V., Khrustalev, Victor N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4644994/
https://www.ncbi.nlm.nih.gov/pubmed/26594514
http://dx.doi.org/10.1107/S2056989015019350
_version_ 1782400737960001536
author Castañeda, Raúl
Timofeeva, Tatiana V.
Khrustalev, Victor N.
author_facet Castañeda, Raúl
Timofeeva, Tatiana V.
Khrustalev, Victor N.
author_sort Castañeda, Raúl
collection PubMed
description The title compound, [Hg(3)(C(6)F(4))(3)]·C(6)N(4), contains one mol­ecule of tetra­cyano­ethyl­ene B per one mol­ecule of mercury macrocycle A, i.e., A•B, and crystallizes in the monoclinic space group C2/c. Macrocycle A and mol­ecule B both occupy special positions on a twofold rotation axis and the inversion centre, respectively. The supra­molecular unit [A•B] is built by the simultaneous coordination of one of the nitrile N atoms of B to the three mercury atoms of the macrocycle A. The Hg⋯N distances range from 2.990 (4) to 3.030 (4) Å and are very close to those observed in the related adducts of the macrocycle A with other nitrile derivatives. The mol­ecule of B is almost perpendicular to the mean plane of the macrocycle A at the dihedral angle of 88.20 (5)°. The donor–acceptor Hg⋯N inter­actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å]. The trans nitrile group of B coordinates to another macrocycle A, forming an infinite mixed-stack [A•B](∞) architecture toward [101]. The remaining N atoms of two nitrile groups of B are not engaged in any donor–acceptor inter­actions. In the crystal, the mixed stacks are held together by inter­molecular C—F⋯C N secondary inter­actions [2.846 (5)–2.925 (5) Å].
format Online
Article
Text
id pubmed-4644994
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-46449942015-11-20 Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1) Castañeda, Raúl Timofeeva, Tatiana V. Khrustalev, Victor N. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Hg(3)(C(6)F(4))(3)]·C(6)N(4), contains one mol­ecule of tetra­cyano­ethyl­ene B per one mol­ecule of mercury macrocycle A, i.e., A•B, and crystallizes in the monoclinic space group C2/c. Macrocycle A and mol­ecule B both occupy special positions on a twofold rotation axis and the inversion centre, respectively. The supra­molecular unit [A•B] is built by the simultaneous coordination of one of the nitrile N atoms of B to the three mercury atoms of the macrocycle A. The Hg⋯N distances range from 2.990 (4) to 3.030 (4) Å and are very close to those observed in the related adducts of the macrocycle A with other nitrile derivatives. The mol­ecule of B is almost perpendicular to the mean plane of the macrocycle A at the dihedral angle of 88.20 (5)°. The donor–acceptor Hg⋯N inter­actions do not affect the C N bond lengths [1.136 (6) and 1.140 (6) Å]. The trans nitrile group of B coordinates to another macrocycle A, forming an infinite mixed-stack [A•B](∞) architecture toward [101]. The remaining N atoms of two nitrile groups of B are not engaged in any donor–acceptor inter­actions. In the crystal, the mixed stacks are held together by inter­molecular C—F⋯C N secondary inter­actions [2.846 (5)–2.925 (5) Å]. International Union of Crystallography 2015-10-24 /pmc/articles/PMC4644994/ /pubmed/26594514 http://dx.doi.org/10.1107/S2056989015019350 Text en © Castañeda et al. 2015 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
Castañeda, Raúl
Timofeeva, Tatiana V.
Khrustalev, Victor N.
Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1)
title Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1)
title_full Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1)
title_fullStr Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1)
title_full_unstemmed Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1)
title_short Crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) C (1):C (2))trimercury–tetra­cyano­ethyl­ene (1/1)
title_sort crystal structure of cyclo-tris­(μ-3,4,5,6-tetra­fluoro-o-phenyl­ene-κ(2) c (1):c (2))trimercury–tetra­cyano­ethyl­ene (1/1)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4644994/
https://www.ncbi.nlm.nih.gov/pubmed/26594514
http://dx.doi.org/10.1107/S2056989015019350
work_keys_str_mv AT castanedaraul crystalstructureofcyclotrism3456tetrafluoroophenylenek2c1c2trimercurytetracyanoethylene11
AT timofeevatatianav crystalstructureofcyclotrism3456tetrafluoroophenylenek2c1c2trimercurytetracyanoethylene11
AT khrustalevvictorn crystalstructureofcyclotrism3456tetrafluoroophenylenek2c1c2trimercurytetracyanoethylene11