Cilansetron hydro­chloride monohydrate, modification A (monoclinic)

The absolute configuration of the monoclinic form of the title compound, (−)‐5,6,9,10‐tetra­hydro‐10‐[(2‐methyl‐1H‐imid­a­zol‐1‐yl)­methyl]‐4H‐pyrido­[3,2,1‐jk]­carbazol‐11(8H)‐one mono­hydro­chloride monohydrate, C20H22N3O+·Cl−·H2O, was established as R at the asymmetric carbon adjacent to the carb...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2003-01, Vol.59 (1), p.o38-o40
Hauptverfasser: Jones, Peter G., Möller, Hedwig, Finner, Emil
Format: Artikel
Sprache:eng
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Zusammenfassung:The absolute configuration of the monoclinic form of the title compound, (−)‐5,6,9,10‐tetra­hydro‐10‐[(2‐methyl‐1H‐imid­a­zol‐1‐yl)­methyl]‐4H‐pyrido­[3,2,1‐jk]­carbazol‐11(8H)‐one mono­hydro­chloride monohydrate, C20H22N3O+·Cl−·H2O, was established as R at the asymmetric carbon adjacent to the carbonyl function. This form [cf. the orthorhombic form; Jones et al. (2003). Acta Cryst. E59, o41–o43] involves two independent formula units with different ring conformations of the six‐membered N‐heterocycle, and somewhat different orientations of the imidazole ring. Each independent formula unit forms a helical hydrogen‐bonded chain of alternating water and chloride residues; the cations are hydrogen bonded laterally to the chlorides.
ISSN:1600-5368
1600-5368
DOI:10.1107/S160053680202247X