Abstract
The title molecule, C22H24F6N2O3, adopts a folded conformation whereby the carboxylate residue lies over the quinolinyl residue, with the dihedral angle between the carbamate and quinoline planes being 41.64 (7)°. Helical supramolecular C(7) chains sustained by O—H⋯O hydrogen bonds propagating along the a-axis direction feature in the crystal packing. The F atoms of one of the CF3 groups are disordered over two orientations; the major component has a site occupancy of 0.824 (7).
Highlights
Fundaçaõ Oswaldo Cruz, Instituto de Tecnologia, em Fármacos–Farmanguinhos, R
Chains sustained by O—H O hydrogen bonds propagating along the a-axis direction feature in the crystal packing
In continuation of our structural and biological studies on mefloquine derivatives (Gonçalves et al, 2010, 2011; de Souza et al 2011; Wardell, et al, 2010; 2011a; 2011b; Pitaluga et al, 2010), we report the crystal and molecular structure of the title compound, tert-butyl 2-[[2,8bis(trifluoromethyl)-4-quinolinyl](hydroxy)methyl]tetrahydro-1(2H)-pyridine carboxylate, (I)
Summary
T. Fundaçaõ Oswaldo Cruz, Instituto de Tecnologia, em Fármacos–Farmanguinhos, R. Sizenando Nabuco, 100, Manguinhos, 21041-250 Rio de Janeiro, RJ, Brazil, b. Cruz (FIOCRUZ), Casa Amarela, Campus de Manguinhos, Av. Brasil 4365, 21040-900 Rio de Janeiro, RJ, Brazil, cCHEMSOL, 1 Harcourt Road, Aberdeen. Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.003 Å; disorder in main residue; R factor = 0.054; wR factor = 0.130; data-to-parameter ratio = 11.9. Chains sustained by O—H O hydrogen bonds propagating along the a-axis direction feature in the crystal packing. The F atoms of one of the CF3 groups are disordered over two orientations; the major component has a site occupancy of
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