Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride

In the title racemic compound, C(12)H(11)NO(5) [systematic name: benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate], the oxazolidine ring is planar, with an r.m.s. deviation of 0.03 Å. The benzyl ring is almost normal to the oxazolidine ring, making a dihedral angle of 80.11 (12)°. In the crystal, inversio...

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Detalles Bibliográficos
Autores principales: Kanazawa, Hitoshi, Inada, Aya
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347073/
https://www.ncbi.nlm.nih.gov/pubmed/28316828
http://dx.doi.org/10.1107/S2056989017003024
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author Kanazawa, Hitoshi
Inada, Aya
author_facet Kanazawa, Hitoshi
Inada, Aya
author_sort Kanazawa, Hitoshi
collection PubMed
description In the title racemic compound, C(12)H(11)NO(5) [systematic name: benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate], the oxazolidine ring is planar, with an r.m.s. deviation of 0.03 Å. The benzyl ring is almost normal to the oxazolidine ring, making a dihedral angle of 80.11 (12)°. In the crystal, inversion dimers are formed between the l- and d-enanti­omers via pairs of N—H⋯O hydrogen bonds. This arrangement is favourable for the polymerization of the compound in the solid state. The dimers are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane.
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spelling pubmed-53470732017-03-17 Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride Kanazawa, Hitoshi Inada, Aya Acta Crystallogr E Crystallogr Commun Research Communications In the title racemic compound, C(12)H(11)NO(5) [systematic name: benzyl 2-(2,5-dioxooxazolidin-4-yl)acetate], the oxazolidine ring is planar, with an r.m.s. deviation of 0.03 Å. The benzyl ring is almost normal to the oxazolidine ring, making a dihedral angle of 80.11 (12)°. In the crystal, inversion dimers are formed between the l- and d-enanti­omers via pairs of N—H⋯O hydrogen bonds. This arrangement is favourable for the polymerization of the compound in the solid state. The dimers are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane. International Union of Crystallography 2017-02-24 /pmc/articles/PMC5347073/ /pubmed/28316828 http://dx.doi.org/10.1107/S2056989017003024 Text en © Kanazawa and Inada 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Kanazawa, Hitoshi
Inada, Aya
Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride
title Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride
title_full Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride
title_fullStr Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride
title_full_unstemmed Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride
title_short Crystal structure of β-benzyl dl-aspartate N-carb­oxyanhydride
title_sort crystal structure of β-benzyl dl-aspartate n-carb­oxyanhydride
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347073/
https://www.ncbi.nlm.nih.gov/pubmed/28316828
http://dx.doi.org/10.1107/S2056989017003024
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