Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]

The title compound, C(11)H(17)BrN(2)O(5), is a de­hydro­amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra­molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol­ecule. The...

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Autores principales: Lenartowicz, Paweł, Makowski, Maciej, Zarychta, Bartosz, Ejsmont, Krzysztof
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257433/
https://www.ncbi.nlm.nih.gov/pubmed/25553002
http://dx.doi.org/10.1107/S1600536814025677
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author Lenartowicz, Paweł
Makowski, Maciej
Zarychta, Bartosz
Ejsmont, Krzysztof
author_facet Lenartowicz, Paweł
Makowski, Maciej
Zarychta, Bartosz
Ejsmont, Krzysztof
author_sort Lenartowicz, Paweł
collection PubMed
description The title compound, C(11)H(17)BrN(2)O(5), is a de­hydro­amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra­molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol­ecule. The dipeptide folding is influenced by an inter­molecular N—H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol­ecules are linked by strong N—H⋯O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C—H⋯O and C—H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter­actions.
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spelling pubmed-42574332014-12-31 Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe] Lenartowicz, Paweł Makowski, Maciej Zarychta, Bartosz Ejsmont, Krzysztof Acta Crystallogr Sect E Struct Rep Online Research Communications The title compound, C(11)H(17)BrN(2)O(5), is a de­hydro­amino acid with a C=C bond between the α- and β-C atoms. The amino acid residues are linked trans to each other and there are no strong intra­molecular hydrogen bonds. The torsion angles indicate a non-helical conformation of the mol­ecule. The dipeptide folding is influenced by an inter­molecular N—H⋯O hydrogen bond and also minimizes steric repulsion. In the crystal, mol­ecules are linked by strong N—H⋯O hydrogen bonds, generating (001) sheets. The sheets are linked by weak C—H⋯O and C—H⋯Br bonds and short Br⋯Br [3.4149 (3) Å] inter­actions. International Union of Crystallography 2014-11-29 /pmc/articles/PMC4257433/ /pubmed/25553002 http://dx.doi.org/10.1107/S1600536814025677 Text en © Lenartowicz et al. 2014 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 Research Communications
Lenartowicz, Paweł
Makowski, Maciej
Zarychta, Bartosz
Ejsmont, Krzysztof
Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]
title Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]
title_full Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]
title_fullStr Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]
title_full_unstemmed Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]
title_short Crystal structure of N-(tert-but­oxy­carbon­yl)glycyl-(Z)-β-bromo­dehydro­alanine methyl ester [Boc–Gly–(β-Br)((Z))ΔAla–OMe]
title_sort crystal structure of n-(tert-but­oxy­carbon­yl)glycyl-(z)-β-bromo­dehydro­alanine methyl ester [boc–gly–(β-br)((z))δala–ome]
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257433/
https://www.ncbi.nlm.nih.gov/pubmed/25553002
http://dx.doi.org/10.1107/S1600536814025677
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