Cargando…

4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate

The pefloxacinium cation of the title salt, C(17)H(21)FN(3)O(3) (+)·C(6)H(2)N(3)O(7) (−), is composed of an essentially planar quinoline ring system [maximum deviation = 0.021 (2) Å] and a piperazine ring, which adopts a chair conformation. In the picrate anion, the two O atoms of one of the o-NO(2)...

Descripción completa

Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Hemamalini, Madhukar, Shetty, Divya N., Narayana, B., Yathirajan, H. S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983575/
https://www.ncbi.nlm.nih.gov/pubmed/21580452
http://dx.doi.org/10.1107/S1600536810006835
_version_ 1782191905251000320
author Fun, Hoong-Kun
Hemamalini, Madhukar
Shetty, Divya N.
Narayana, B.
Yathirajan, H. S.
author_facet Fun, Hoong-Kun
Hemamalini, Madhukar
Shetty, Divya N.
Narayana, B.
Yathirajan, H. S.
author_sort Fun, Hoong-Kun
collection PubMed
description The pefloxacinium cation of the title salt, C(17)H(21)FN(3)O(3) (+)·C(6)H(2)N(3)O(7) (−), is composed of an essentially planar quinoline ring system [maximum deviation = 0.021 (2) Å] and a piperazine ring, which adopts a chair conformation. In the picrate anion, the two O atoms of one of the o-NO(2) groups are disordered over two positions, with an occupancy ratio of 0.56 (4):0.44 (4). In the crystal structure, cations and anions are connected by inter­molecular N—H⋯O, O—H⋯O, C—H⋯O and C—H⋯F hydrogen bonds, forming a three-dimensional network. In addition, π–π inter­actions between the pyridine rings and between the benzene rings of the anions, with centroid–centroid distances of 3.6103 (12) and 3.5298 (11) Å, respectively, are observed.
format Text
id pubmed-2983575
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29835752010-12-30 4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate Fun, Hoong-Kun Hemamalini, Madhukar Shetty, Divya N. Narayana, B. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers The pefloxacinium cation of the title salt, C(17)H(21)FN(3)O(3) (+)·C(6)H(2)N(3)O(7) (−), is composed of an essentially planar quinoline ring system [maximum deviation = 0.021 (2) Å] and a piperazine ring, which adopts a chair conformation. In the picrate anion, the two O atoms of one of the o-NO(2) groups are disordered over two positions, with an occupancy ratio of 0.56 (4):0.44 (4). In the crystal structure, cations and anions are connected by inter­molecular N—H⋯O, O—H⋯O, C—H⋯O and C—H⋯F hydrogen bonds, forming a three-dimensional network. In addition, π–π inter­actions between the pyridine rings and between the benzene rings of the anions, with centroid–centroid distances of 3.6103 (12) and 3.5298 (11) Å, respectively, are observed. International Union of Crystallography 2010-02-27 /pmc/articles/PMC2983575/ /pubmed/21580452 http://dx.doi.org/10.1107/S1600536810006835 Text en © Fun 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
Fun, Hoong-Kun
Hemamalini, Madhukar
Shetty, Divya N.
Narayana, B.
Yathirajan, H. S.
4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate
title 4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate
title_full 4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate
title_fullStr 4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate
title_full_unstemmed 4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate
title_short 4-(3-Carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate
title_sort 4-(3-carb­oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol­yl)-1-methyl­piper­azin­ium picrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983575/
https://www.ncbi.nlm.nih.gov/pubmed/21580452
http://dx.doi.org/10.1107/S1600536810006835
work_keys_str_mv AT funhoongkun 43carboxy1ethyl6fluoro4oxo14dihydro7quinolyl1methylpiperaziniumpicrate
AT hemamalinimadhukar 43carboxy1ethyl6fluoro4oxo14dihydro7quinolyl1methylpiperaziniumpicrate
AT shettydivyan 43carboxy1ethyl6fluoro4oxo14dihydro7quinolyl1methylpiperaziniumpicrate
AT narayanab 43carboxy1ethyl6fluoro4oxo14dihydro7quinolyl1methylpiperaziniumpicrate
AT yathirajanhs 43carboxy1ethyl6fluoro4oxo14dihydro7quinolyl1methylpiperaziniumpicrate