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9-Benzyl-10-methyl-acridinium trifluoro-methane-sulfonate.

ABSTRACT: In the crystal structure of the title compound, C(21)H(18)N(+)·CF(3)OS(3) (-), the cations form inversion dimers through π-π inter-actions between the acridine ring systems. These dimers are further linked by C-H⋯π inter-actions. The cations and anions are connected by C-H⋯O, C-F⋯π and S-O⋯π inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 76.8 (1)°with respect to each other. The acridine moieties are either parallel or inclined at an angle of 62.4 (1)° in the crystal structure.

SUBMITTER: Trzybinski D

PROVIDER: S-EPMC3006932 | biostudies-literature |

REPOSITORIES: biostudies-literature

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9-Ethyl-10-methyl-acridinium trifluoro-methane-sulfonate.

Project description:In the mol-ecule of the title compound, C(16)H(16)N(+)·CF(3)SO(3) (-), the central ring adopts a flattened-boat conformation, and the two aromatic rings are oriented at a dihedral angle of 3.94 (2)°. In the crystal structure, weak inter-molecular hydrogen bonds link the mol-ecules. There are π-π contacts between the aromatic rings and the central ring and one of the aromatic rings [centroid-centroid distances = 3.874 (2), 3.945 (2) and 3.814 (2) Å]. There is also an S-O⋯π contact between the central ring and one of the O atoms of the anion.

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Project description: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)°.

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Project description:In the crystal structure of the title compound, C(22)H(18)NO(2) (+)·CF(3)SO(3) (-), adjacent cations are linked through C-H?? and ?-? inter-actions, and the cations and anions are connected by C-H?O and C-F?? inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 3.0?(1)°. The carboxyl group is twisted at an angle of 83.1?(1)° relative to the acridine skeleton. The mean planes of adjacent acridine units are parallel or inclined at an angle of 75.2?(1)° in the crystal structure.

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9-(4-Bromo-phenoxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate.

Project description:In the crystal structure of the title compound, C(21)H(15)BrNO(2) (+)·CF(3)SO(3) (-), the cations form inversion dimers through ?-? inter-actions between the acridine ring systems. These dimers are further linked by C-H?? and C-Br?? inter-actions. The cations and anions are connected by multidirectional C-H?O and C-F?? inter-actions. The acridine and benzene ring systems are oriented at 10.8?(1)°. The carboxyl group is twisted at an angle of 85.2?(1)° relative to the acridine skeleton. The mean planes of adjacent acridine units are parallel or almost parallel [inclined at an angle of 1.4?(1)°] in the crystal structure.

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Project description:In the crystal structure of the title compound, C(27)H(20)NO(2) (+)·CF(3)SO(3) (-), the cations form inversion dimers through π-π inter-actions between the acridine ring systems [centroid-centroid distances = 3.668 (2)-3.994 (2) Å]. These dimers are further linked by C-H⋯O and C-H⋯π inter-actions. The cation and the anion are connected by C-H⋯O inter-actions. The mean plane of the acridine ring system makes dihedral angles of 10.6 (1) and 82.5 (1)°, respectively, with the adjacent phenyl ring and the carb-oxy group. The two phenyl rings of the biphenyl group are oriented at 42.9 (1)°.

| S-EPMC2969101 | biostudies-literature

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

Project description: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.

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9-(Methyl-sulfan-yl)acridinium trifluoro-methane-sulfonate.

Project description:In the crystal structure of the title compound, C(14)H(12)NS(+)·CF(3)SO(3) (-), N-H?O hydrogen bonds link cations and anions into ion pairs. Inversely oriented ion pairs form stacks through multidirectional ?-? inter-actions among the acridine units. The crystal structure features a network of C-H?O inter-actions among stacks and also long-range electrostatic inter-actions among ions. In the packing of the mol-ecules, the acridine units are nearly parallel in stacks or inclined at an angle of 33.07?(2)° in the four adjacent stacks with which they inter-act via weak C-H?O inter-actions. The methyl-sulfanyl group is twisted through an angle of 60.53?(2)° with respect to the acridine ring.

| S-EPMC2968655 | biostudies-literature

10-Methyl-9-[2-(propan-2-yl)phenoxy-carbonyl]-acridinium trifluoro-methane-sulfonate.

Project description:In the crystal of the title compound, C(24)H(22)NO(2) (+)·CF(3)SO(3) (-), adjacent cations and anions are connected through C-H?O, C-H?F and S-O?? inter-actions, while neighboring cations via ?-? inter-actions [centroid-centroid distance = 3.962?(2)?Å]. The acridine and benzene ring systems are oriented at a dihedral angle of 14.6?(1)°. The carboxyl group is twisted at an angle of 87.6?(1)° relative to the acridine skeleton. The mean planes of adjacent acridine units are parallel or inclined at an angle of 13.4?(1)° in the crystal structure.

| S-EPMC3009101 | biostudies-literature

9-(4-Chloro-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate.

Project description:In the crystal of the title compound, C(21)H(15)ClNO(2) (+)·CF(3)SO(3) (-), adjacent cations are linked through C-H?? and ?-? inter-actions [centroid-centroid distance = 3.987?(2)?Å], and neighboring cations and anions via C-H?O and C-F?? inter-actions. The acridine ring system and benzene ring are oriented at a dihedral angle of 1.0?(1)° while the carboxyl group is twisted at an angle of 85.0?(1)° relative to the acridine skeleton. The mean planes of adjacent acridine units are either parallel or inclined at an angle of 78.2?(1)° in the crystal structure.

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9-(2,6-Dimethyl-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate.

Project description:In the crystal structure of the title compound, C(23)H(20)NO(2) (+)·CF(3)SO(3) (-), adjacent cations are linked through a network of C-H?? and ?-? inter-actions, and neighboring cations and anions via C-H?O inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 31.4?(1)°. The carboxyl group is twisted at an angle of 66.3?(1)° relative to the acridine skeleton. The mean planes of the adjacent acridine moieties are parallel in the crystal structure.

| S-EPMC3009356 | biostudies-literature

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