2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid

2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid

In the asymmetric unit of the title compound, C17H12F3NO4S, there are two conformationally similar molecules in which the heterocyclic thiazine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the molecules f...

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Main Authors: Shaojuan Zhu, Shagufta Parveen, Changjin Zhu
Format: Article
Language:English
Published: International Union of Crystallography 2014-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814013245
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spelling doaj-426d6d5328fb4494b7c81a3d29ad8a902020-11-24T22:08:23ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-07-01707o775o77510.1107/S1600536814013245zs23012-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acidShaojuan Zhu0Shagufta Parveen1Changjin Zhu2School of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of ChinaSchool of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of ChinaSchool of Chemical Engineering and Environment, Beijing Institute of Technology, Beijing 100081, People's Republic of ChinaIn the asymmetric unit of the title compound, C17H12F3NO4S, there are two conformationally similar molecules in which the heterocyclic thiazine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the molecules form dimers through cyclic carboxylic acid O—H...O hydrogen-bonding associations [graph set R22(8)] and are extended into chains along [101] through weak C—H...Osulfinyl hydrogen bonds [graph set R22(14)]..http://scripts.iucr.org/cgi-bin/paper?S1600536814013245
collection DOAJ
language English
format Article
sources DOAJ
author Shaojuan Zhu
Shagufta Parveen
Changjin Zhu
spellingShingle Shaojuan Zhu
Shagufta Parveen
Changjin Zhu
2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
Acta Crystallographica Section E
author_facet Shaojuan Zhu
Shagufta Parveen
Changjin Zhu
author_sort Shaojuan Zhu
title 2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_short 2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_full 2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_fullStr 2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_full_unstemmed 2-[(E)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_sort 2-[(e)-1,1-dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2h-1,2-benzothiazin-4-ylidene]acetic acid
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-07-01
description In the asymmetric unit of the title compound, C17H12F3NO4S, there are two conformationally similar molecules in which the heterocyclic thiazine ring adopts a half-chair conformation, with the dihedral angle between the two benzene rings being 24.84 (8) and 37.42 (8)°. In the crystal, the molecules form dimers through cyclic carboxylic acid O—H...O hydrogen-bonding associations [graph set R22(8)] and are extended into chains along [101] through weak C—H...Osulfinyl hydrogen bonds [graph set R22(14)]..
url http://scripts.iucr.org/cgi-bin/paper?S1600536814013245
work_keys_str_mv AT shaojuanzhu 2e11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
AT shaguftaparveen 2e11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
AT changjinzhu 2e11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
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