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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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 |
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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 |
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