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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...

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Autores principales: Bhardwaj, Rajni M., Raval, Vishal, Oswald, Iain D. H., Florence, Alastair J.
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
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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.
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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
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