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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2968223 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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