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Acetylene–ammonia–18-crown-6 (1/2/1)
The title compound, C(2)H(2)·C(12)H(24)O(6)·2NH(3), was formed by co-crystallization of 18-crown-6 and acetylene in liquid ammonia. The 18-crown-6 molecule has threefold rotoinversion symmetry. The acteylene molecule lies on the threefold axis and the whole molecule is generated by an inversion...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470307/ https://www.ncbi.nlm.nih.gov/pubmed/23125720 http://dx.doi.org/10.1107/S1600536812038792 |
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author | Grassl, Tobias Hamberger, Markus Korber, Nikolaus |
author_facet | Grassl, Tobias Hamberger, Markus Korber, Nikolaus |
author_sort | Grassl, Tobias |
collection | PubMed |
description | The title compound, C(2)H(2)·C(12)H(24)O(6)·2NH(3), was formed by co-crystallization of 18-crown-6 and acetylene in liquid ammonia. The 18-crown-6 molecule has threefold rotoinversion symmetry. The acteylene molecule lies on the threefold axis and the whole molecule is generated by an inversion center. The two ammonia molecules are also located on the threefold axis and are related by inversion symmetry. In the crystal, the ammonia molecules are located below and above the crown ether plane and are connected by intermolecular N—H⋯O hydrogen bonds. The acetylene molecules are additionally linked by weak C—H⋯N interactions into chains that propagate in the direction of the crystallographic c axis. The 18-crown-6 molecule [occupancy ratio 0.830 (4):0.170 (4)] is disordered and was refined using a split model. |
format | Online Article Text |
id | pubmed-3470307 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34703072012-11-02 Acetylene–ammonia–18-crown-6 (1/2/1) Grassl, Tobias Hamberger, Markus Korber, Nikolaus Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(2)H(2)·C(12)H(24)O(6)·2NH(3), was formed by co-crystallization of 18-crown-6 and acetylene in liquid ammonia. The 18-crown-6 molecule has threefold rotoinversion symmetry. The acteylene molecule lies on the threefold axis and the whole molecule is generated by an inversion center. The two ammonia molecules are also located on the threefold axis and are related by inversion symmetry. In the crystal, the ammonia molecules are located below and above the crown ether plane and are connected by intermolecular N—H⋯O hydrogen bonds. The acetylene molecules are additionally linked by weak C—H⋯N interactions into chains that propagate in the direction of the crystallographic c axis. The 18-crown-6 molecule [occupancy ratio 0.830 (4):0.170 (4)] is disordered and was refined using a split model. International Union of Crystallography 2012-09-15 /pmc/articles/PMC3470307/ /pubmed/23125720 http://dx.doi.org/10.1107/S1600536812038792 Text en © Grassl et al. 2012 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 | Organic Papers Grassl, Tobias Hamberger, Markus Korber, Nikolaus Acetylene–ammonia–18-crown-6 (1/2/1) |
title | Acetylene–ammonia–18-crown-6 (1/2/1) |
title_full | Acetylene–ammonia–18-crown-6 (1/2/1) |
title_fullStr | Acetylene–ammonia–18-crown-6 (1/2/1) |
title_full_unstemmed | Acetylene–ammonia–18-crown-6 (1/2/1) |
title_short | Acetylene–ammonia–18-crown-6 (1/2/1) |
title_sort | acetylene–ammonia–18-crown-6 (1/2/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470307/ https://www.ncbi.nlm.nih.gov/pubmed/23125720 http://dx.doi.org/10.1107/S1600536812038792 |
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