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

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

In the title compound, C17H12F3NO4S, the heterocyclic thiazine ring adopts a half-chair conformation and the dihedral angle between the benzene rings is 43.28 (9)°. The α,β-unsaturated C=C group is inclined at an angle of 21.0 (3)° to the benzene ring of the benzothiazine moiety. In the crystal, inv...

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Main Authors: Shagufta Parveen, Saghir Hussain, Shaojuan Zhu, Xin Hao, Changjin Zhu
Format: Article
Language:English
Published: International Union of Crystallography 2014-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814008903
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spelling doaj-94569a24ba4845b893f4c6b26a5299162020-11-25T02:15:25ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-06-01706o627o62710.1107/S1600536814008903zs22942-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acidShagufta Parveen0Saghir Hussain1Shaojuan Zhu2Xin Hao3Changjin Zhu4School 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 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 title compound, C17H12F3NO4S, the heterocyclic thiazine ring adopts a half-chair conformation and the dihedral angle between the benzene rings is 43.28 (9)°. The α,β-unsaturated C=C group is inclined at an angle of 21.0 (3)° to the benzene ring of the benzothiazine moiety. In the crystal, inversion dimers linked by pairs of carboxylic acid O—H...O hydrogen bonds generate R22(8) loops. Each of the F atoms accepts a Ca—H...F (a = aromatic) hydrogen bond from an adjacent molecule, resulting in (001) sheets.http://scripts.iucr.org/cgi-bin/paper?S1600536814008903
collection DOAJ
language English
format Article
sources DOAJ
author Shagufta Parveen
Saghir Hussain
Shaojuan Zhu
Xin Hao
Changjin Zhu
spellingShingle Shagufta Parveen
Saghir Hussain
Shaojuan Zhu
Xin Hao
Changjin Zhu
2-[(Z)-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 Shagufta Parveen
Saghir Hussain
Shaojuan Zhu
Xin Hao
Changjin Zhu
author_sort Shagufta Parveen
title 2-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_short 2-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_full 2-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_fullStr 2-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_full_unstemmed 2-[(Z)-1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-3,4-dihydro-2H-1,2-benzothiazin-4-ylidene]acetic acid
title_sort 2-[(z)-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 2014-06-01
description In the title compound, C17H12F3NO4S, the heterocyclic thiazine ring adopts a half-chair conformation and the dihedral angle between the benzene rings is 43.28 (9)°. The α,β-unsaturated C=C group is inclined at an angle of 21.0 (3)° to the benzene ring of the benzothiazine moiety. In the crystal, inversion dimers linked by pairs of carboxylic acid O—H...O hydrogen bonds generate R22(8) loops. Each of the F atoms accepts a Ca—H...F (a = aromatic) hydrogen bond from an adjacent molecule, resulting in (001) sheets.
url http://scripts.iucr.org/cgi-bin/paper?S1600536814008903
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AT saghirhussain 2z11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
AT shaojuanzhu 2z11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
AT xinhao 2z11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
AT changjinzhu 2z11dioxo2245trifluorobenzyl34dihydro2h12benzothiazin4ylideneaceticacid
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