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10-Methyl-9-phenoxy-carbonyl-acridinium trifluoro-methane-sulfonate monohydrate.

ABSTRACT: In the crystal structure of the title compound, C(21)H(16)NO(2) (+)·CF(3)SO(3) (-)·H(2)O, the anions and the water mol-ecules are linked by O-H?O inter-actions, while the cations form inversion dimers through ?-? inter-actions between acridine ring systems. These dimers are linked by C-H?O and C-F?? inter-actions to adjacent anions, and by C-H?? inter-actions to neighboring cations. The water mol-ecule links two H atoms of the cation by C-H?O inter-actions and two adjacent anions by O-H?O inter-actions. The acridine and benzene ring systems are oriented at 15.6?(1)°. The carboxyl group is twisted at an angle of 77.0?(1)° relative to the acridine skeleton. The mean planes of the adjacent acridine units are either parallel or inclined at an angle of 18.4?(1)°.

SUBMITTER: Trzybinski D

PROVIDER: S-EPMC2984046 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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10-Methyl-9-phenoxy-carbonyl-acridinium trifluoro-methane-sulfonate monohydrate.

Trzybiński Damian D Krzymiński Karol K Sikorski Artur A Błażejowski Jerzy J

Acta crystallographica. Section E, Structure reports online 20100324 Pt 4

In the crystal structure of the title compound, C(21)H(16)NO(2) (+)·CF(3)SO(3) (-)·H(2)O, the anions and the water mol-ecules are linked by O-H⋯O inter-actions, while the cations form inversion dimers through π-π inter-actions between acridine ring systems. These dimers are linked by C-H⋯O and C-F⋯π inter-actions to adjacent anions, and by C-H⋯π inter-actions to neighboring cations. The water mol-ecule links two H atoms of the cation by C-H⋯O inter-actions and two adjacent anions by O-H⋯O inter- ...[more]

PMID: 21580718

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