Browse
Submit Data
Databases
API
Help

Dataset Information

16 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: In the crystal structure of the title compound, C(23)H(20)NO(4) (+)·CF(3)SO(3) (-), the cations are linked through C-H?O, C-H?? and ?-? inter-actions [centroid-centroid distances = 3.641?(2) and 3.885?(2)?Å]. The cation and the anion are held together by C-H?O and S-O?? inter-actions. The acridine ring system and the benzene ring in the cation are oriented at a dihedral angle of 8.7?(1)°. The carb-oxy group is twisted at an angle of 83.2?(1)° relative to the acridine skeleton.

SUBMITTER: Krzyminski K

PROVIDER: S-EPMC2968902 | biostudies-other | 2009

REPOSITORIES: biostudies-other

ACCESS DATA

Json Xml

Publications

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

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

Acta crystallographica. Section E, Structure reports online 20090319 Pt 4

In the crystal structure of the title compound, C(23)H(20)NO(4) (+)·CF(3)SO(3) (-), the cations are linked through C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid distances = 3.641 (2) and 3.885 (2) Å]. The cation and the anion are held together by C-H⋯O and S-O⋯π inter-actions. The acridine ring system and the benzene ring in the cation are oriented at a dihedral angle of 8.7 (1)°. The carb-oxy group is twisted at an angle of 83.2 (1)° relative to the acridine skeleton. ...[more]

PMID: 21582514

Similar Datasets

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

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.

| S-EPMC3009014 | biostudies-literature

9-(2-Bromo-phen-oxy-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) (-), adjacent cations are linked through C-Br?? and ?-? contacts [centroid-centroid distance = 3.744?(2)?Å], and neighbouring cations and anions via C-H?O, C-F?? and S-O?? inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 18.7?(1)°. The carb-oxy group is twisted at an angle of 69.3?(1)° relative to the acridine skeleton. The mean planes of adjacent acridine moieties are either parallel or inclined at an angle of 27.8?(1)° in the lattice.

| S-EPMC3379313 | biostudies-literature

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

Project description: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.

| S-EPMC3295421 | biostudies-literature

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

Project description:In the crystal structure of the title compound, C(21)H(15)FNO(2) (+)·CF(3)SO(3) (-), the cations form inversion dimers through C-H?O, C-F?? and ?-? inter-actions. These dimers are further linked by ?-? inter-actions. The cations and anions are connected through C-H?O, C-F?? and S-O?? inter-actions. The acridine and benzene ring systems are oriented at a dihedral angle of 74.1?(1)°. The carboxyl-ate group is twisted at an angle of 4.4?(1)° relative to the acridine skeleton. The mean planes of the adjacent acridine moieties are parallel or inclined at an angle of 55.4?(1)° in the crystal structure.

| S-EPMC3009336 | biostudies-other

9-(2,5-Dimethyl-phen-oxy-carbon-yl)-10-methyl-acridinium trifluoro-methane-sulfonate.

Project description:In the title compound, C(23)H(20)NO(2) (+)·CF(3)SO(3) (-), the acridine ring system is oriented at a dihedral angle of 23.1?(1)° with respect to the benzene ring and the carboxyl group is twisted at an angle of 74.1?(1)° relative to the acridine skeleton. In the crystal, adjacent cations are linked through C-H?? inter-actions and neighboring cations and anions via weak C-H?O hydrogen bonds. The mean planes of adjacent acridine units are either parallel or inclined at angles of 15.0?(1), 26.9?(1) and 48.1?(1)° in the crystal structure.

| S-EPMC3238871 | biostudies-other

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

Project description: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.

| S-EPMC3006932 | biostudies-literature

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.

| S-EPMC2967949 | 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??, 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.

| S-EPMC2960374 | biostudies-literature

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.

| S-EPMC2979630 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data