7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

In the title structure, C25H24FN3O5, a strong intramolecular O—H...O hydrogen bond is present between the carboxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, molecules are held together by weak C—H...O, C—H...F and &...

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Bibliographic Details
Main Authors: Shuo Wang, Guangzhi Shan, Huiyuan Guo, Mingliang Liu
Format: Article
Language:English
Published: International Union of Crystallography 2012-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812028711
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spelling doaj-d01b7ab2ba924ad2ac8119464bb6354b2020-11-24T21:26:28ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-07-01687o2264o226410.1107/S16005368120287117-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidShuo WangGuangzhi ShanHuiyuan GuoMingliang LiuIn the title structure, C25H24FN3O5, a strong intramolecular O—H...O hydrogen bond is present between the carboxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, molecules are held together by weak C—H...O, C—H...F and π–π [centroid–centroid distance 3.6080 (8) Å] interactions. The 1,4-dihydroquinoline ring and cyclopropyl group are not in the same plane, making an interplanar angle of 57.52 (8)°.http://scripts.iucr.org/cgi-bin/paper?S1600536812028711
collection DOAJ
language English
format Article
sources DOAJ
author Shuo Wang
Guangzhi Shan
Huiyuan Guo
Mingliang Liu
spellingShingle Shuo Wang
Guangzhi Shan
Huiyuan Guo
Mingliang Liu
7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Acta Crystallographica Section E
author_facet Shuo Wang
Guangzhi Shan
Huiyuan Guo
Mingliang Liu
author_sort Shuo Wang
title 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
title_short 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
title_full 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
title_fullStr 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
title_full_unstemmed 7-{4-[(1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
title_sort 7-{4-[(1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2012-07-01
description In the title structure, C25H24FN3O5, a strong intramolecular O—H...O hydrogen bond is present between the carboxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, molecules are held together by weak C—H...O, C—H...F and π–π [centroid–centroid distance 3.6080 (8) Å] interactions. The 1,4-dihydroquinoline ring and cyclopropyl group are not in the same plane, making an interplanar angle of 57.52 (8)°.
url http://scripts.iucr.org/cgi-bin/paper?S1600536812028711
work_keys_str_mv AT shuowang 7413benzodioxol5ylmethylpiperazin1yl1cyclopropyl6fluoro4oxo14dihydroquinoline3carboxylicacid
AT guangzhishan 7413benzodioxol5ylmethylpiperazin1yl1cyclopropyl6fluoro4oxo14dihydroquinoline3carboxylicacid
AT huiyuanguo 7413benzodioxol5ylmethylpiperazin1yl1cyclopropyl6fluoro4oxo14dihydroquinoline3carboxylicacid
AT mingliangliu 7413benzodioxol5ylmethylpiperazin1yl1cyclopropyl6fluoro4oxo14dihydroquinoline3carboxylicacid
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