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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...

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Detalles Bibliográficos
Autores principales: Grassl, Tobias, Hamberger, Markus, Korber, Nikolaus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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