2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid

2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid

In the title compound, C17H12F3NO4S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and the N atoms displaced by −0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring...

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Main Authors: Changjin Zhu, Yanchun Yang, Youzhu Yu
Format: Article
Language:English
Published: International Union of Crystallography 2012-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812015942
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spelling doaj-8080ddbbadc34bf485346b4dba8368202020-11-25T01:37:59ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-05-01685o1364o136410.1107/S16005368120159422-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acidChangjin ZhuYanchun YangYouzhu YuIn the title compound, C17H12F3NO4S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and the N atoms displaced by −0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63 (8)° and the acetic acid group is inclined at right angles [89.78 (8) °] to the mean plane formed by the C atoms of the thiazine ring. The crystal structure features O—H...O and C—H...O hydrogen bonds.http://scripts.iucr.org/cgi-bin/paper?S1600536812015942
collection DOAJ
language English
format Article
sources DOAJ
author Changjin Zhu
Yanchun Yang
Youzhu Yu
spellingShingle Changjin Zhu
Yanchun Yang
Youzhu Yu
2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
Acta Crystallographica Section E
author_facet Changjin Zhu
Yanchun Yang
Youzhu Yu
author_sort Changjin Zhu
title 2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
title_short 2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
title_full 2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
title_fullStr 2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
title_full_unstemmed 2-[1,1-Dioxo-2-(2,4,5-trifluorobenzyl)-2H-1,2-benzothiazin-4-yl]acetic acid
title_sort 2-[1,1-dioxo-2-(2,4,5-trifluorobenzyl)-2h-1,2-benzothiazin-4-yl]acetic acid
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2012-05-01
description In the title compound, C17H12F3NO4S, the heterocyclic thiazine ring adopts a half-chair conformation with the S and the N atoms displaced by −0.608 (3) and 0.105 (3) Å, respectively, from the mean plane formed by the remaining ring atoms. The dihedral angle between the two benzene rings is 36.63 (8)° and the acetic acid group is inclined at right angles [89.78 (8) °] to the mean plane formed by the C atoms of the thiazine ring. The crystal structure features O—H...O and C—H...O hydrogen bonds.
url http://scripts.iucr.org/cgi-bin/paper?S1600536812015942
work_keys_str_mv AT changjinzhu 211dioxo2245trifluorobenzyl2h12benzothiazin4ylaceticacid
AT yanchunyang 211dioxo2245trifluorobenzyl2h12benzothiazin4ylaceticacid
AT youzhuyu 211dioxo2245trifluorobenzyl2h12benzothiazin4ylaceticacid
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