Cargando…
Crystal structure of a mixed solvated form of amoxapine acetate
The mixed solvated salt 4-(2-chlorodibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-ium acetate–acetic acid–cyclohexane (2/2/1), C(17)H(17)ClN(3)O(+)·C(2)H(3)O(2) (−)·C(2)H(4)O(2)·0.5C(6)H(12), crystallizes with one molecule of protonated amoxapine (AXPN), an acetate anion and a molecule of acetic ac...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384552/ https://www.ncbi.nlm.nih.gov/pubmed/25878802 http://dx.doi.org/10.1107/S2056989014028096 |
_version_ | 1782364917909684224 |
---|---|
author | Bhardwaj, Rajni M. Raval, Vishal Oswald, Iain D. H. Florence, Alastair J. |
author_facet | Bhardwaj, Rajni M. Raval, Vishal Oswald, Iain D. H. Florence, Alastair J. |
author_sort | Bhardwaj, Rajni M. |
collection | PubMed |
description | The mixed solvated salt 4-(2-chlorodibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-ium acetate–acetic acid–cyclohexane (2/2/1), C(17)H(17)ClN(3)O(+)·C(2)H(3)O(2) (−)·C(2)H(4)O(2)·0.5C(6)H(12), crystallizes with one molecule of protonated amoxapine (AXPN), an acetate anion and a molecule of acetic acid together with half a molecule of cyclohexane. In the centrosymmetric crystal, both enantiomers of the protonated AXPN molecule stack alternatively along [001]. Acetate anions connect the AXPN cations through N—H⋯O hydrogen bonding in the [010] direction, creating a sheet lying parallel to (100). The acetic acid molecules are linked to the acetate anions via O—H⋯O hydrogen bonds within the sheets. Within the sheets there are also a number of C—H⋯O hydrogen bonds present. The cyclohexane solvent molecules occupy the space between the sheets. |
format | Online Article Text |
id | pubmed-4384552 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43845522015-04-15 Crystal structure of a mixed solvated form of amoxapine acetate Bhardwaj, Rajni M. Raval, Vishal Oswald, Iain D. H. Florence, Alastair J. Acta Crystallogr E Crystallogr Commun Research Communications The mixed solvated salt 4-(2-chlorodibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-ium acetate–acetic acid–cyclohexane (2/2/1), C(17)H(17)ClN(3)O(+)·C(2)H(3)O(2) (−)·C(2)H(4)O(2)·0.5C(6)H(12), crystallizes with one molecule of protonated amoxapine (AXPN), an acetate anion and a molecule of acetic acid together with half a molecule of cyclohexane. In the centrosymmetric crystal, both enantiomers of the protonated AXPN molecule stack alternatively along [001]. Acetate anions connect the AXPN cations through N—H⋯O hydrogen bonding in the [010] direction, creating a sheet lying parallel to (100). The acetic acid molecules are linked to the acetate anions via O—H⋯O hydrogen bonds within the sheets. Within the sheets there are also a number of C—H⋯O hydrogen bonds present. The cyclohexane solvent molecules occupy the space between the sheets. International Union of Crystallography 2015-01-10 /pmc/articles/PMC4384552/ /pubmed/25878802 http://dx.doi.org/10.1107/S2056989014028096 Text en © Bhardwaj et al. 2015 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 | Research Communications Bhardwaj, Rajni M. Raval, Vishal Oswald, Iain D. H. Florence, Alastair J. Crystal structure of a mixed solvated form of amoxapine acetate |
title | Crystal structure of a mixed solvated form of amoxapine acetate |
title_full | Crystal structure of a mixed solvated form of amoxapine acetate |
title_fullStr | Crystal structure of a mixed solvated form of amoxapine acetate |
title_full_unstemmed | Crystal structure of a mixed solvated form of amoxapine acetate |
title_short | Crystal structure of a mixed solvated form of amoxapine acetate |
title_sort | crystal structure of a mixed solvated form of amoxapine acetate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384552/ https://www.ncbi.nlm.nih.gov/pubmed/25878802 http://dx.doi.org/10.1107/S2056989014028096 |
work_keys_str_mv | AT bhardwajrajnim crystalstructureofamixedsolvatedformofamoxapineacetate AT ravalvishal crystalstructureofamixedsolvatedformofamoxapineacetate AT oswaldiaindh crystalstructureofamixedsolvatedformofamoxapineacetate AT florencealastairj crystalstructureofamixedsolvatedformofamoxapineacetate |