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2-{1-[2,8-Bis(trifluoro-meth-yl)quinolin-4-yl]-3,5,6,7,8,8a-hexa-hydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol.

ABSTRACT: In the title mefloquine-oxazolidine derivative, C(24)H(20)F(6)N(2)O(2), the oxazoline ring adopts an envelope conformation (the flap atom is N) and the piperidine ring has a chair conformation. The oxazoline and benzene residues lie away from the C(6) ring of the quinoline group and, to a first approximation, to one side of the plane through the ten atoms (r.m.s. deviation = 0.025?Å). An intra-molecular O-H?N(piperidine) hydrogen bond is present. The crystal packing features C-H?O, C-H?F and C-H??(hy-droxy-benzene) inter-actions.

SUBMITTER: Goncalves RS

PROVIDER: S-EPMC3151884 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

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2-{1-[2,8-Bis(trifluoro-meth-yl)quinolin-4-yl]-3,5,6,7,8,8a-hexa-hydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol.

Gonçalves Raoni S B RS Kaiser Carlos R CR de Souza Marcus V N MV Wardell James L JL Wardell Solange M S V SM Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110618 Pt 7

In the title mefloquine-oxazolidine derivative, C(24)H(20)F(6)N(2)O(2), the oxazoline ring adopts an envelope conformation (the flap atom is N) and the piperidine ring has a chair conformation. The oxazoline and benzene residues lie away from the C(6) ring of the quinoline group and, to a first approximation, to one side of the plane through the ten atoms (r.m.s. deviation = 0.025 Å). An intra-molecular O-H⋯N(piperidine) hydrogen bond is present. The crystal packing features C-H⋯O, C-H⋯F and C-H ...[more]

PMID: 21837057

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