(R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate

The carb­oxy­lic acid mol­ecule of the title compound, C(11)H(20)NO(5)P·0.25CH(2)Cl(2), exists as a zwitterion with the H atom of the phospho­nate group being transferred to the imine N atom. In the asymmetric unit, there are two crystallographically independent acid mol­ecules adopting the same abs...

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Detalles Bibliográficos
Autores principales: Todorov, Petar, Calmes, Monique, Shivachev, Boris L., Nikolova, Rosica P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213590/
https://www.ncbi.nlm.nih.gov/pubmed/22091167
http://dx.doi.org/10.1107/S1600536811029503
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author Todorov, Petar
Calmes, Monique
Shivachev, Boris L.
Nikolova, Rosica P.
author_facet Todorov, Petar
Calmes, Monique
Shivachev, Boris L.
Nikolova, Rosica P.
author_sort Todorov, Petar
collection PubMed
description The carb­oxy­lic acid mol­ecule of the title compound, C(11)H(20)NO(5)P·0.25CH(2)Cl(2), exists as a zwitterion with the H atom of the phospho­nate group being transferred to the imine N atom. In the asymmetric unit, there are two crystallographically independent acid mol­ecules adopting the same absolute configuration and differing slightly in their geometrical parameters. In each mol­ecule, the imino and carboxyl groups are connected via an intra­molecular N—H⋯O hydrogen bond. Inter­molecular O—H⋯O and N—H⋯O hydrogen bonds induce the formation of layers parallel to the ab plane. The dichloro­methane solvent mol­ecule, with a site occupancy of 0.5, is located between the layers.
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spelling pubmed-32135902011-11-16 (R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate Todorov, Petar Calmes, Monique Shivachev, Boris L. Nikolova, Rosica P. Acta Crystallogr Sect E Struct Rep Online Organic Papers The carb­oxy­lic acid mol­ecule of the title compound, C(11)H(20)NO(5)P·0.25CH(2)Cl(2), exists as a zwitterion with the H atom of the phospho­nate group being transferred to the imine N atom. In the asymmetric unit, there are two crystallographically independent acid mol­ecules adopting the same absolute configuration and differing slightly in their geometrical parameters. In each mol­ecule, the imino and carboxyl groups are connected via an intra­molecular N—H⋯O hydrogen bond. Inter­molecular O—H⋯O and N—H⋯O hydrogen bonds induce the formation of layers parallel to the ab plane. The dichloro­methane solvent mol­ecule, with a site occupancy of 0.5, is located between the layers. International Union of Crystallography 2011-07-30 /pmc/articles/PMC3213590/ /pubmed/22091167 http://dx.doi.org/10.1107/S1600536811029503 Text en © Todorov 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
Todorov, Petar
Calmes, Monique
Shivachev, Boris L.
Nikolova, Rosica P.
(R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate
title (R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate
title_full (R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate
title_fullStr (R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate
title_full_unstemmed (R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate
title_short (R)-Methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate
title_sort (r)-methyl {[(2-carb­oxy­bicyclo­[2.2.2]octan-1-yl)­ammonio]­methyl}­phos­phon­ate dichloro­methane 0.25-solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3213590/
https://www.ncbi.nlm.nih.gov/pubmed/22091167
http://dx.doi.org/10.1107/S1600536811029503
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AT calmesmonique rmethyl2carboxybicyclo222octan1ylammoniomethylphosphonatedichloromethane025solvate
AT shivachevborisl rmethyl2carboxybicyclo222octan1ylammoniomethylphosphonatedichloromethane025solvate
AT nikolovarosicap rmethyl2carboxybicyclo222octan1ylammoniomethylphosphonatedichloromethane025solvate

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