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9-(3-Fluoro-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate monohydrate.

ABSTRACT: In the crystal structure of the title mol-ecular salt, C(21)H(15)FNO(2) (+)·CF(3)SO(3) (-)·H(2)O, the cations form inversion dimers through ?-? inter-actions between the acridine ring systems. These dimers are linked via C-H?O and C-F?? inter-actions to adjacent anions, and by C-H?? and C-F?? inter-actions to neighbouring cations. The water mol-ecule links two sites of the cation by C-H?O inter-actions and two adjacent anions by O-H?O hydrogen bonds. The mean planes of the acridine and benzene ring systems are oriented at a dihedral angle of 15.1?(1)°. The carboxyl group is twisted at an angle of 84.5?(1)° relative to the acridine skeleton. The mean planes of the acridine ring systems are parallel in the crystal.

SUBMITTER: Trzybinski D

PROVIDER: S-EPMC3295421 | biostudies-literature | 2012 Mar

REPOSITORIES: biostudies-literature

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9-(3-Fluoro-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate monohydrate.

Trzybiński Damian D Ożóg Agnieszka A Krzymiński Karol K Błażejowski Jerzy J

Acta crystallographica. Section E, Structure reports online 20120204 Pt 3

In the crystal structure of the title mol-ecular salt, C(21)H(15)FNO(2) (+)·CF(3)SO(3) (-)·H(2)O, the cations form inversion dimers through π-π inter-actions between the acridine ring systems. These dimers are linked via C-H⋯O and C-F⋯π inter-actions to adjacent anions, and by C-H⋯π and C-F⋯π inter-actions to neighbouring cations. The water mol-ecule links two sites of the cation by C-H⋯O inter-actions and two adjacent anions by O-H⋯O hydrogen bonds. The mean planes of the acridine and benzene r ...[more]

PMID: 22412532

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