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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...

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Autores principales: Stibrany, Robert T., Potenza, Joseph A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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