Valyl benzyl ester chloride

In the title compound (systematic name: 1-benz­yloxy-3-methyl-1-oxobutan-2-aminium chloride), C(12)H(18)NO(2) (+)·Cl(−), the ester group is approximately planar, with a maximum deviation of 0.040 (2) Å from the least-squares plane, and makes a dihedral angle of 28.92 (16)° with the phenyl ring. The...

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Autores principales: Dutkiewicz, Grzegorz, Siddaraju, B. P., Yathirajan, H. S., Mayekar, A. N., Kubicki, Maciej
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979941/
https://www.ncbi.nlm.nih.gov/pubmed/21579754
http://dx.doi.org/10.1107/S1600536810000176
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author Dutkiewicz, Grzegorz
Siddaraju, B. P.
Yathirajan, H. S.
Mayekar, A. N.
Kubicki, Maciej
author_facet Dutkiewicz, Grzegorz
Siddaraju, B. P.
Yathirajan, H. S.
Mayekar, A. N.
Kubicki, Maciej
author_sort Dutkiewicz, Grzegorz
collection PubMed
description In the title compound (systematic name: 1-benz­yloxy-3-methyl-1-oxobutan-2-aminium chloride), C(12)H(18)NO(2) (+)·Cl(−), the ester group is approximately planar, with a maximum deviation of 0.040 (2) Å from the least-squares plane, and makes a dihedral angle of 28.92 (16)° with the phenyl ring. The crystal structure is organized by N—H⋯Cl hydrogen bonds which join the two components into a chain along the b axis. Pairs of chains arranged anti­parallel are inter­connected by further N—H⋯Cl hydrogen bonds, forming eight-membered rings. Similar packing modes have been observed in a number of amino acid ester halides with a short unit-cell parameter of ca 5.5 Å along the direction in which the chains run.
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spelling pubmed-29799412010-12-30 Valyl benzyl ester chloride Dutkiewicz, Grzegorz Siddaraju, B. P. Yathirajan, H. S. Mayekar, A. N. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound (systematic name: 1-benz­yloxy-3-methyl-1-oxobutan-2-aminium chloride), C(12)H(18)NO(2) (+)·Cl(−), the ester group is approximately planar, with a maximum deviation of 0.040 (2) Å from the least-squares plane, and makes a dihedral angle of 28.92 (16)° with the phenyl ring. The crystal structure is organized by N—H⋯Cl hydrogen bonds which join the two components into a chain along the b axis. Pairs of chains arranged anti­parallel are inter­connected by further N—H⋯Cl hydrogen bonds, forming eight-membered rings. Similar packing modes have been observed in a number of amino acid ester halides with a short unit-cell parameter of ca 5.5 Å along the direction in which the chains run. International Union of Crystallography 2010-01-09 /pmc/articles/PMC2979941/ /pubmed/21579754 http://dx.doi.org/10.1107/S1600536810000176 Text en © Dutkiewicz et al. 2010 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
Dutkiewicz, Grzegorz
Siddaraju, B. P.
Yathirajan, H. S.
Mayekar, A. N.
Kubicki, Maciej
Valyl benzyl ester chloride
title Valyl benzyl ester chloride
title_full Valyl benzyl ester chloride
title_fullStr Valyl benzyl ester chloride
title_full_unstemmed Valyl benzyl ester chloride
title_short Valyl benzyl ester chloride
title_sort valyl benzyl ester chloride
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979941/
https://www.ncbi.nlm.nih.gov/pubmed/21579754
http://dx.doi.org/10.1107/S1600536810000176
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AT siddarajubp valylbenzylesterchloride
AT yathirajanhs valylbenzylesterchloride
AT mayekaran valylbenzylesterchloride
AT kubickimaciej valylbenzylesterchloride

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