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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)...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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 |
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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 |
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