Absolute configuration of (+)-(S)-2-(5-fluoro-2-methoxy-1,4-benzodioxan-2-yl)imidazolinium bromide.
The title compound, C(12)H(14)FN(2)O(3)(+).Br(-), crystallizes in the non-centrosymmetric P2(1)2(1)2(1) space group. The absolute configuration of the pharmacologically active molecule could be resolved in the hydrobromide salt, the structure of which is reported. The molecule of the title compound has the S configuration. The molecular packing in the crystal is stabilized by weak N-H.Br [N.Br = 3.240 (4) and 3.302 (4) A] hydrogen bonding.
Belin
R
R
Laboratoire de Physicochimie de la Matière Condensée, UMR CNRS 5617, Université de Montpellier II, Sciences et Techniques du Languedoc, 2 Place Eugène Bataillon 34095 Montpellier CEDEX 5, France.
Tillard
M
M
Maurel
J L
JL
Ribet
J P
JP
D000317:Adrenergic alpha-Antagonists / Q000737:chemistry*; D018360:Crystallography, X-Ray; D007093:Imidazoles / Q000737:chemistry*; D008968:Molecular Conformation; D018341:Receptors, Adrenergic, alpha-2 / Q000187:drug effects*
C431787:2-(5-fluoro-2-methoxy-1,4-benzodioxan-2-yl)imidazolinium bromide; D000317:Adrenergic alpha-Antagonists; D007093:Imidazoles; D018341:Receptors, Adrenergic, alpha-2