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Morpholine-4-carboxamidinium ethyl carbonate
The asymmetric unit of the title salt, C(5)H(12)N(3)O(+)·C(3)H(5)O(3) (−), contains two carboxamidinium and two ethyl carbonate ions. In the crystal, the C—N bond lengths in the central CN(3) units of the cations range between 1.324 (2) and 1.352 (2) Å, indicating partial double-bond character. The...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589013/ https://www.ncbi.nlm.nih.gov/pubmed/23476249 http://dx.doi.org/10.1107/S1600536812046922 |
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author | Tiritiris, Ioannis |
author_facet | Tiritiris, Ioannis |
author_sort | Tiritiris, Ioannis |
collection | PubMed |
description | The asymmetric unit of the title salt, C(5)H(12)N(3)O(+)·C(3)H(5)O(3) (−), contains two carboxamidinium and two ethyl carbonate ions. In the crystal, the C—N bond lengths in the central CN(3) units of the cations range between 1.324 (2) and 1.352 (2) Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charges are delocalized in the CN(3) planes. The morpholine rings are in chair conformations. The C—O bond lengths in both ethyl carbonate ions are characteristic for delocalized double bonds [1.243 (2)–1.251 (2) Å] and typical single bonds [1.368 (2) and 1.375 (2) Å]. In the crystal, N—H⋯O hydrogen bonds between cations and anions generate a two-dimensional network in the ac plane. |
format | Online Article Text |
id | pubmed-3589013 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35890132013-03-08 Morpholine-4-carboxamidinium ethyl carbonate Tiritiris, Ioannis Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt, C(5)H(12)N(3)O(+)·C(3)H(5)O(3) (−), contains two carboxamidinium and two ethyl carbonate ions. In the crystal, the C—N bond lengths in the central CN(3) units of the cations range between 1.324 (2) and 1.352 (2) Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charges are delocalized in the CN(3) planes. The morpholine rings are in chair conformations. The C—O bond lengths in both ethyl carbonate ions are characteristic for delocalized double bonds [1.243 (2)–1.251 (2) Å] and typical single bonds [1.368 (2) and 1.375 (2) Å]. In the crystal, N—H⋯O hydrogen bonds between cations and anions generate a two-dimensional network in the ac plane. International Union of Crystallography 2012-11-24 /pmc/articles/PMC3589013/ /pubmed/23476249 http://dx.doi.org/10.1107/S1600536812046922 Text en © Ioannis Tiritiris 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 Tiritiris, Ioannis Morpholine-4-carboxamidinium ethyl carbonate |
title | Morpholine-4-carboxamidinium ethyl carbonate |
title_full | Morpholine-4-carboxamidinium ethyl carbonate |
title_fullStr | Morpholine-4-carboxamidinium ethyl carbonate |
title_full_unstemmed | Morpholine-4-carboxamidinium ethyl carbonate |
title_short | Morpholine-4-carboxamidinium ethyl carbonate |
title_sort | morpholine-4-carboxamidinium ethyl carbonate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3589013/ https://www.ncbi.nlm.nih.gov/pubmed/23476249 http://dx.doi.org/10.1107/S1600536812046922 |
work_keys_str_mv | AT tiritirisioannis morpholine4carboxamidiniumethylcarbonate |