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10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate

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 mol­ecules are linked by O—H⋯O inter­actions, while the cations form inversion dimers through π–π inter­actions between acridine ring systems. These dimers are linked by C—H⋯O and C—F⋯π...

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Autores principales: Trzybiński, Damian, Krzymiński, Karol, Sikorski, Artur, Błażejowski, Jerzy
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984046/
https://www.ncbi.nlm.nih.gov/pubmed/21580718
http://dx.doi.org/10.1107/S1600536810009979
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author Trzybiński, Damian
Krzymiński, Karol
Sikorski, Artur
Błażejowski, Jerzy
author_facet Trzybiński, Damian
Krzymiński, Karol
Sikorski, Artur
Błażejowski, Jerzy
author_sort Trzybiński, Damian
collection PubMed
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 mol­ecules are linked by O—H⋯O inter­actions, while the cations form inversion dimers through π–π inter­actions between acridine ring systems. These dimers are linked by C—H⋯O and C—F⋯π inter­actions to adjacent anions, and by C—H⋯π inter­actions to neighboring cations. The water mol­ecule links two H atoms of the cation by C—H⋯O inter­actions and two adjacent anions by O—H⋯O inter­actions. 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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spelling pubmed-29840462010-12-30 10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate Trzybiński, Damian Krzymiński, Karol Sikorski, Artur Błażejowski, Jerzy Acta Crystallogr Sect E Struct Rep Online Organic Papers 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 mol­ecules are linked by O—H⋯O inter­actions, while the cations form inversion dimers through π–π inter­actions between acridine ring systems. These dimers are linked by C—H⋯O and C—F⋯π inter­actions to adjacent anions, and by C—H⋯π inter­actions to neighboring cations. The water mol­ecule links two H atoms of the cation by C—H⋯O inter­actions and two adjacent anions by O—H⋯O inter­actions. 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)°. International Union of Crystallography 2010-03-24 /pmc/articles/PMC2984046/ /pubmed/21580718 http://dx.doi.org/10.1107/S1600536810009979 Text en © Trzybiński et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Trzybiński, Damian
Krzymiński, Karol
Sikorski, Artur
Błażejowski, Jerzy
10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate
title 10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate
title_full 10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate
title_fullStr 10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate
title_full_unstemmed 10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate
title_short 10-Methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate
title_sort 10-methyl-9-phenoxy­carbonyl­acridinium trifluoro­methane­sulfonate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984046/
https://www.ncbi.nlm.nih.gov/pubmed/21580718
http://dx.doi.org/10.1107/S1600536810009979
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