(S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)]

The title mol­ecular salt, C(5)H(12)NO(+)·C(4)BN(4) (−) or (C(5)H(12)NO)[B(CN)(4)], was obtained as single crystals by slow evaporation of a solution of the compound in aceto­nitrile over several weeks. The asymmetric unit contains two (S)-alanine ethyl ester cations and two tetra­cyanidoborate anio...

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Autores principales: Peppel, Tim, Köckerling, Martin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462345/
https://www.ncbi.nlm.nih.gov/pubmed/36337323
http://dx.doi.org/10.1107/S2414314621005629
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author Peppel, Tim
Köckerling, Martin
author_facet Peppel, Tim
Köckerling, Martin
author_sort Peppel, Tim
collection PubMed
description The title mol­ecular salt, C(5)H(12)NO(+)·C(4)BN(4) (−) or (C(5)H(12)NO)[B(CN)(4)], was obtained as single crystals by slow evaporation of a solution of the compound in aceto­nitrile over several weeks. The asymmetric unit contains two (S)-alanine ethyl ester cations and two tetra­cyanidoborate anions, which are linked by N—H⋯N hydrogen bonds. The compound exhibits a relatively low melting point of 110°C and shows a solid–solid phase transition near room temperature (T (s–s) = 29°C) on the basis of DSC measurements. [Image: see text]
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spelling pubmed-94623452022-11-04 (S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)] Peppel, Tim Köckerling, Martin IUCrdata Data Reports The title mol­ecular salt, C(5)H(12)NO(+)·C(4)BN(4) (−) or (C(5)H(12)NO)[B(CN)(4)], was obtained as single crystals by slow evaporation of a solution of the compound in aceto­nitrile over several weeks. The asymmetric unit contains two (S)-alanine ethyl ester cations and two tetra­cyanidoborate anions, which are linked by N—H⋯N hydrogen bonds. The compound exhibits a relatively low melting point of 110°C and shows a solid–solid phase transition near room temperature (T (s–s) = 29°C) on the basis of DSC measurements. [Image: see text] International Union of Crystallography 2021-06-04 /pmc/articles/PMC9462345/ /pubmed/36337323 http://dx.doi.org/10.1107/S2414314621005629 Text en © Peppel and Köckerling 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Peppel, Tim
Köckerling, Martin
(S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)]
title (S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)]
title_full (S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)]
title_fullStr (S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)]
title_full_unstemmed (S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)]
title_short (S)-Alanine ethyl ester tetra­cyanidoborate, (C(5)H(12)NO)[B(CN)(4)]
title_sort (s)-alanine ethyl ester tetra­cyanidoborate, (c(5)h(12)no)[b(cn)(4)]
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462345/
https://www.ncbi.nlm.nih.gov/pubmed/36337323
http://dx.doi.org/10.1107/S2414314621005629
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