Cargando…
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...
Autores principales: | , , , |
---|---|
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 |
_version_ | 1782192021171077120 |
---|---|
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)°. |
format | Text |
id | pubmed-2984046 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT trzybinskidamian 10methyl9phenoxycarbonylacridiniumtrifluoromethanesulfonatemonohydrate AT krzyminskikarol 10methyl9phenoxycarbonylacridiniumtrifluoromethanesulfonatemonohydrate AT sikorskiartur 10methyl9phenoxycarbonylacridiniumtrifluoromethanesulfonatemonohydrate AT błazejowskijerzy 10methyl9phenoxycarbonylacridiniumtrifluoromethanesulfonatemonohydrate |