Crystal structure of a mixed solvated form of amoxapine acetate

Rajni M. Bhardwaj, Vishal Raval, Iain D. H. Oswald, Alastair J. Florence, H. Stoeckli-Evans (Editor)

Research output: Contribution to journalArticle

Abstract

The mixed solvated salt 4-(2-chloro­dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-ium acetate-acetic acid-cyclo­hexane (2/2/1), C17H17ClN3O+·C2H3O2-·C2H4O2·0.5C6H12, 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.

LanguageEnglish
Pages139-141
Number of pages3
JournalActa Crystallographica Section E: Structure Reports
Volume71
Issue number2
DOIs
Publication statusPublished - 1 Feb 2015

Fingerprint

Amoxapine
Cyclohexane
Acetic acid
acetates
Hydrogen bonds
Acetates
Negative ions
Crystal structure
acetic acid
Acetic Acid
cyclohexane
Anions
crystal structure
anions
hydrogen bonds
Positive ions
Salts
Cations
Crystals
salts

Keywords

  • amoxapine
  • crystal structure
  • hydrogen bonding
  • mixed solvate
  • oxaze-pine

Cite this

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title = "Crystal structure of a mixed solvated form of amoxapine acetate",
abstract = "The mixed solvated salt 4-(2-chloro­dibenzo[b,f][1,4]oxazepin-11-yl)piperazin-1-ium acetate-acetic acid-cyclo­hexane (2/2/1), C17H17ClN3O+·C2H3O2-·C2H4O2·0.5C6H12, 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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Crystal structure of a mixed solvated form of amoxapine acetate. / Bhardwaj, Rajni M.; Raval, Vishal; Oswald, Iain D. H.; Florence, Alastair J.; Stoeckli-Evans, H. (Editor).

In: Acta Crystallographica Section E: Structure Reports, Vol. 71, No. 2, 01.02.2015, p. 139-141.

Research output: Contribution to journalArticle

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