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10-Methyl-9-(2-nitro-phenoxy-carbon-yl)acridinium trifluoro-methane-sulfonate.

ABSTRACT: The crystal structure of the title compound, C(21)H(15)N(2)O(4) (+)·CF(3)O(3)S(-), is stabilized by C-H?O and C-H?F hydrogen bonds, by C-F??, N-O?? and S-O?? inter-actions, and by O?O [2.70?(4)?Å] and O?F [2.85?(1) or 2.92?(1)?Å] contacts; ?-? interactions are also present. In the packing of the mol-ecules, acridine units are either parallel or inclined at an angle of 12.5?(1)°. The nitrophenoxycarbonyl unit is disordered over two position; the site occupancy factors are 0.89 and 0.11.

SUBMITTER: Sikorski A

PROVIDER: S-EPMC2960374 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature

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10-Methyl-9-(2-nitro-phenoxy-carbon-yl)acridinium trifluoro-methane-sulfonate.

Sikorski Artur A Niziołek Agnieszka A Krzymiński Karol K Lis Tadeusz T Błażejowski Jerzy J

Acta crystallographica. Section E, Structure reports online 20080104 Pt 2

The crystal structure of the title compound, C(21)H(15)N(2)O(4) (+)·CF(3)O(3)S(-), is stabilized by C-H⋯O and C-H⋯F hydrogen bonds, by C-F⋯π, N-O⋯π and S-O⋯π inter-actions, and by O⋯O [2.70 (4) Å] and O⋯F [2.85 (1) or 2.92 (1) Å] contacts; π-π interactions are also present. In the packing of the mol-ecules, acridine units are either parallel or inclined at an angle of 12.5 (1)°. The nitrophenoxycarbonyl unit is disordered over two position; the site occupancy factors are 0.89 and 0.11. ...[more]

PMID: 21201404

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