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Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1)
The structure of the title trifluoroacetic acid adduct, C(17)H(12)N(2)O(3)·C(2)HF(3)O(2), contains a trifluoroacetic acid molecule hydrogen bonded to the imine N atom of the imidazole ring of a nearly planar four-fused-ring system (r.m.s. deviatiation = 0.013 Å). The carboxylic acid group of...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685112/ https://www.ncbi.nlm.nih.gov/pubmed/23795131 http://dx.doi.org/10.1107/S1600536813013834 |
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author | Stibrany, Robert T. Potenza, Joseph A. |
author_facet | Stibrany, Robert T. Potenza, Joseph A. |
author_sort | Stibrany, Robert T. |
collection | PubMed |
description | The structure of the title trifluoroacetic acid adduct, C(17)H(12)N(2)O(3)·C(2)HF(3)O(2), contains a trifluoroacetic acid molecule hydrogen bonded to the imine N atom of the imidazole ring of a nearly planar four-fused-ring system (r.m.s. deviatiation = 0.013 Å). The carboxylic acid group of the triflouroacetic acid molecule is twisted with respect to the mean plane of the four-fused-ring sytem by 75.9 (2)°. A short intramolecular C—H⋯O hydrogen bond occurs. In the crystal, the adduct molecules are arranged into stacks along the b axis via π–π interactions between imidazole rings and between imidazole and one of the benzene rings [centroid–centroid distances 3.352 (2) and 3.485 (2) Å, respectively]. Molecules are linked via C—H⋯O hydrogen bonds, forming an alternating polymeric head-to-head/tail-to-tail stepped chain approximately along the a-axis direction and tilted on an axis bisecting the b and c axes. |
format | Online Article Text |
id | pubmed-3685112 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36851122013-06-21 Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) Stibrany, Robert T. Potenza, Joseph A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title trifluoroacetic acid adduct, C(17)H(12)N(2)O(3)·C(2)HF(3)O(2), contains a trifluoroacetic acid molecule hydrogen bonded to the imine N atom of the imidazole ring of a nearly planar four-fused-ring system (r.m.s. deviatiation = 0.013 Å). The carboxylic acid group of the triflouroacetic acid molecule is twisted with respect to the mean plane of the four-fused-ring sytem by 75.9 (2)°. A short intramolecular C—H⋯O hydrogen bond occurs. In the crystal, the adduct molecules are arranged into stacks along the b axis via π–π interactions between imidazole rings and between imidazole and one of the benzene rings [centroid–centroid distances 3.352 (2) and 3.485 (2) Å, respectively]. Molecules are linked via C—H⋯O hydrogen bonds, forming an alternating polymeric head-to-head/tail-to-tail stepped chain approximately along the a-axis direction and tilted on an axis bisecting the b and c axes. International Union of Crystallography 2013-05-31 /pmc/articles/PMC3685112/ /pubmed/23795131 http://dx.doi.org/10.1107/S1600536813013834 Text en © Stibrany and Potenza 2013 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 Stibrany, Robert T. Potenza, Joseph A. Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) |
title | Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) |
title_full | Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) |
title_fullStr | Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) |
title_full_unstemmed | Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) |
title_short | Ethyl 7-oxo-7H-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) |
title_sort | ethyl 7-oxo-7h-benzo[de]imidazo[5,1-a]isoquinoline-11-carboxylate–trifluoroacetic acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685112/ https://www.ncbi.nlm.nih.gov/pubmed/23795131 http://dx.doi.org/10.1107/S1600536813013834 |
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