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Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride

The crystal structure of the title compound, C(7)H(14)NO(2) (+)·Cl(−), was reported previously [Chacko, Srinivasan & Zand (1975 ▶). J. Cryst. Mol. Struct. 5, 353–357] from Weissenberg photographic data with R = 0.113. It has now been redetermined, providing a significant increase in the precisio...

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Autores principales: Belandria, Lusbely M., Delgado, Gerzon E., Mora, Asiloé J., Seijas, Luis E., González, Teresa
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968223/
https://www.ncbi.nlm.nih.gov/pubmed/21581862
http://dx.doi.org/10.1107/S1600536808044243
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author Belandria, Lusbely M.
Delgado, Gerzon E.
Mora, Asiloé J.
Seijas, Luis E.
González, Teresa
author_facet Belandria, Lusbely M.
Delgado, Gerzon E.
Mora, Asiloé J.
Seijas, Luis E.
González, Teresa
author_sort Belandria, Lusbely M.
collection PubMed
description The crystal structure of the title compound, C(7)H(14)NO(2) (+)·Cl(−), was reported previously [Chacko, Srinivasan & Zand (1975 ▶). J. Cryst. Mol. Struct. 5, 353–357] from Weissenberg photographic data with R = 0.113. It has now been redetermined, providing a significant increase in the precision of the derived geometric parameters, viz. mean σ(C—C) = 0.003 Å in the present work compared with 0.021 Å for the previous work. The complete cation is generated by crystallographic mirrror symmetry, with three C atoms, two O atoms and the N atom lying on the reflecting plane; the chloride anion also has m site symmetry. The crystal structure is established by a two-dimensional network of O—H⋯Cl and N—H⋯Cl hydrogen bonds, generating C (1) (2)(4) and C (1) (2)(7) chains, and R (2) (4)(8) and R (2) (4)(14) rings.
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spelling pubmed-29682232010-12-30 Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride Belandria, Lusbely M. Delgado, Gerzon E. Mora, Asiloé J. Seijas, Luis E. González, Teresa Acta Crystallogr Sect E Struct Rep Online Organic Papers The crystal structure of the title compound, C(7)H(14)NO(2) (+)·Cl(−), was reported previously [Chacko, Srinivasan & Zand (1975 ▶). J. Cryst. Mol. Struct. 5, 353–357] from Weissenberg photographic data with R = 0.113. It has now been redetermined, providing a significant increase in the precision of the derived geometric parameters, viz. mean σ(C—C) = 0.003 Å in the present work compared with 0.021 Å for the previous work. The complete cation is generated by crystallographic mirrror symmetry, with three C atoms, two O atoms and the N atom lying on the reflecting plane; the chloride anion also has m site symmetry. The crystal structure is established by a two-dimensional network of O—H⋯Cl and N—H⋯Cl hydrogen bonds, generating C (1) (2)(4) and C (1) (2)(7) chains, and R (2) (4)(8) and R (2) (4)(14) rings. International Union of Crystallography 2009-01-08 /pmc/articles/PMC2968223/ /pubmed/21581862 http://dx.doi.org/10.1107/S1600536808044243 Text en © Belandria et al. 2009 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
Belandria, Lusbely M.
Delgado, Gerzon E.
Mora, Asiloé J.
Seijas, Luis E.
González, Teresa
Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride
title Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride
title_full Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride
title_fullStr Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride
title_full_unstemmed Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride
title_short Redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride
title_sort redetermination of 1-carboxy­cyclo­hexan-1-aminium chloride
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968223/
https://www.ncbi.nlm.nih.gov/pubmed/21581862
http://dx.doi.org/10.1107/S1600536808044243
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