AI Article Synopsis

  • The molecule C(22)H(24)F(6)N(2)O(3) has a unique folded structure where its carboxylate group overlaps with the quinoline group, resulting in a dihedral angle of 41.64° between the two planes.
  • In the crystal structure, helical chains are formed by O-H⋯O hydrogen bonds that align along the a-axis direction.
  • Additionally, some fluorine atoms in the CF(3) group are disordered, with the predominant orientation having a site occupancy of 0.824.

Article Abstract

The title mol-ecule, C(22)H(24)F(6)N(2)O(3), adopts a folded conformation whereby the carboxyl-ate residue lies over the quinolinyl residue, with the dihedral angle between the carbamate and quinoline planes being 41.64 (7)°. Helical supra-molecular 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 CF(3) groups are disordered over two orientations; the major component has a site occupancy of 0.824 (7).

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238966PMC
http://dx.doi.org/10.1107/S1600536811047726DOI Listing

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Article Synopsis
  • The molecule C(22)H(24)F(6)N(2)O(3) has a unique folded structure where its carboxylate group overlaps with the quinoline group, resulting in a dihedral angle of 41.64° between the two planes.
  • In the crystal structure, helical chains are formed by O-H⋯O hydrogen bonds that align along the a-axis direction.
  • Additionally, some fluorine atoms in the CF(3) group are disordered, with the predominant orientation having a site occupancy of 0.824.
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The reaction of (E)-tert-butyl 4-[3-(dimethyl-amino)acrylo-yl]piperidine-1-carboxyl-ate with methyl-hydrazine leads to the formation of the title compound, C(14)H(23)N(3)O(2), with a 1-methyl-1H-pyrazol-5-yl substituent. The plane of the pyrazole ring forms a dihedral angle of 33.4 (1)° with the approximate mirror plane of the piperidine ring.

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