(S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none

The crystal structure of the title compound, C(12)H(14)ClNO, was determined in order to confirm that the chiral center of the mol­ecule has an S configuration. The cyclo­hexa­none ring adopts a chair conformation. The 2-chloro­phenyl ring is slightly twisted from the axial C—N bond, with a N—C—C—C t...

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Detalles Bibliográficos
Autores principales: Biermann, Manfred, Hardcastle, Kenneth I., Moskalev, Nikolai V., Crooks, Peter A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100030/
https://www.ncbi.nlm.nih.gov/pubmed/21754205
http://dx.doi.org/10.1107/S1600536811009950
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author Biermann, Manfred
Hardcastle, Kenneth I.
Moskalev, Nikolai V.
Crooks, Peter A.
author_facet Biermann, Manfred
Hardcastle, Kenneth I.
Moskalev, Nikolai V.
Crooks, Peter A.
author_sort Biermann, Manfred
collection PubMed
description The crystal structure of the title compound, C(12)H(14)ClNO, was determined in order to confirm that the chiral center of the mol­ecule has an S configuration. The cyclo­hexa­none ring adopts a chair conformation. The 2-chloro­phenyl ring is slightly twisted from the axial C—N bond, with a N—C—C—C torsion angle of −5.7 (2)°. In the crystal, an inter­molecular N—H⋯O hydrogen bond links adjacent mol­ecules into an infinite chain, which propagates in the b-axis direction.
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spelling pubmed-31000302011-07-13 (S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none Biermann, Manfred Hardcastle, Kenneth I. Moskalev, Nikolai V. Crooks, Peter A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(12)H(14)ClNO, was determined in order to confirm that the chiral center of the mol­ecule has an S configuration. The cyclo­hexa­none ring adopts a chair conformation. The 2-chloro­phenyl ring is slightly twisted from the axial C—N bond, with a N—C—C—C torsion angle of −5.7 (2)°. In the crystal, an inter­molecular N—H⋯O hydrogen bond links adjacent mol­ecules into an infinite chain, which propagates in the b-axis direction. International Union of Crystallography 2011-03-19 /pmc/articles/PMC3100030/ /pubmed/21754205 http://dx.doi.org/10.1107/S1600536811009950 Text en © Biermann et al. 2011 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
Biermann, Manfred
Hardcastle, Kenneth I.
Moskalev, Nikolai V.
Crooks, Peter A.
(S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none
title (S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none
title_full (S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none
title_fullStr (S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none
title_full_unstemmed (S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none
title_short (S)-2-Amino-2-(2-chloro­phen­yl)cyclo­hexa­none
title_sort (s)-2-amino-2-(2-chloro­phen­yl)cyclo­hexa­none
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100030/
https://www.ncbi.nlm.nih.gov/pubmed/21754205
http://dx.doi.org/10.1107/S1600536811009950
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AT hardcastlekennethi s2amino22chlorophenylcyclohexanone
AT moskalevnikolaiv s2amino22chlorophenylcyclohexanone
AT crookspetera s2amino22chlorophenylcyclohexanone

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