(2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

(2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one

In the title molecule, C25H20N4OS, the dihedral angle between the plane of the dihydrothiazine ring and that of the fused C6 ring is 1.0 (2)°, indicating a slight twist in the dihydrobenzothiophene unit; there is a roughly perpendicular relationship between the fused C6 ring and the triazole ring [d...

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Bibliographic Details
Main Authors: Nada Kheira Sebbar, Mohamed Ellouz, Mohammed Boulhaoua, Younes Ouzidan, El Mokhtar Essassi, Joel T. Mague
Format: Article
Language:English
Published: International Union of Crystallography 2016-11-01
Series:IUCrData
Subjects:
crystal structure
hydrogen bonding
dihydrobenzothiazine
Online Access:http://scripts.iucr.org/cgi-bin/paper?S241431461601823X
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record_format Article
spelling doaj-7615c5ad985b464daac7dc0b72906c8e2020-11-24T21:22:22ZengInternational Union of CrystallographyIUCrData2414-31462016-11-01111x16182310.1107/S241431461601823Xtk4023(2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-oneNada Kheira Sebbar0Mohamed Ellouz1Mohammed Boulhaoua2Younes Ouzidan3El Mokhtar Essassi4Joel T. Mague5Laboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoLaboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoLaboratoire de Chimie Organique Appliquée, Université Sidi Mohamed Ben Abdallah, Faculté des Sciences et Techniques, Route d'Imouzzer, BP 2202, Fez, MoroccoLaboratoire de Chimie Organique Hétérocyclique URAC 21, Pôle de Compétence Pharmacochimie, Av. Ibn Battouta, BP 1014, Faculté des Sciences, Université Mohammed V, Rabat, MoroccoDepartment of Chemistry, Tulane University, New Orleans, LA 70118, USAIn the title molecule, C25H20N4OS, the dihedral angle between the plane of the dihydrothiazine ring and that of the fused C6 ring is 1.0 (2)°, indicating a slight twist in the dihydrobenzothiophene unit; there is a roughly perpendicular relationship between the fused C6 ring and the triazole ring [dihedral angle = 73.2 (1)°]. The packing comprises chains running parallel to the c axis formed by weak C—H...O hydrogen bonds, with the benzyl rings intercalated between adjacent chains. The benzyl ring is statistically disordered. The sample was refined as a twin.http://scripts.iucr.org/cgi-bin/paper?S241431461601823Xcrystal structurehydrogen bondingdihydrobenzothiazine
collection DOAJ
language English
format Article
sources DOAJ
author Nada Kheira Sebbar
Mohamed Ellouz
Mohammed Boulhaoua
Younes Ouzidan
El Mokhtar Essassi
Joel T. Mague
spellingShingle Nada Kheira Sebbar
Mohamed Ellouz
Mohammed Boulhaoua
Younes Ouzidan
El Mokhtar Essassi
Joel T. Mague
(2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
IUCrData
crystal structure
hydrogen bonding
dihydrobenzothiazine
author_facet Nada Kheira Sebbar
Mohamed Ellouz
Mohammed Boulhaoua
Younes Ouzidan
El Mokhtar Essassi
Joel T. Mague
author_sort Nada Kheira Sebbar
title (2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
title_short (2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
title_full (2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
title_fullStr (2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
title_full_unstemmed (2Z)-2-Benzylidene-4-[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-3-one
title_sort (2z)-2-benzylidene-4-[(1-benzyl-1h-1,2,3-triazol-4-yl)methyl]-3,4-dihydro-2h-1,4-benzothiazin-3-one
publisher International Union of Crystallography
series IUCrData
issn 2414-3146
publishDate 2016-11-01
description In the title molecule, C25H20N4OS, the dihedral angle between the plane of the dihydrothiazine ring and that of the fused C6 ring is 1.0 (2)°, indicating a slight twist in the dihydrobenzothiophene unit; there is a roughly perpendicular relationship between the fused C6 ring and the triazole ring [dihedral angle = 73.2 (1)°]. The packing comprises chains running parallel to the c axis formed by weak C—H...O hydrogen bonds, with the benzyl rings intercalated between adjacent chains. The benzyl ring is statistically disordered. The sample was refined as a twin.
topic crystal structure
hydrogen bonding
dihydrobenzothiazine
url http://scripts.iucr.org/cgi-bin/paper?S241431461601823X
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AT mohammedboulhaoua 2z2benzylidene41benzyl1h123triazol4ylmethyl34dihydro2h14benzothiazin3one
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