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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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Autor principal: Tiritiris, Ioannis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
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.
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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