Crystal and mol#173;ecular structure of (2Z,5Z)-3-(2-meth#173;oxy#173;phen#173;yl)-2-(2-meth#173;oxy#173;phen#173;yl)imino-5-(4-nitro#173;benzyl#173;idene)thia#173;zolidin-4-one

Djafri A.; Chouaih A.; Daran J.-C.Hamzaoui F.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal and mol#173;ecular structure of (2Z,5Z)-3-(2-meth#173;oxy#173;phen#173;yl)-2-(2-meth#173;oxy#173;phen#173;yl)imino-5-(4-nitro#173;benzyl#173;idene)thia#173;zolidin-4-one

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Crystal and mol#173;ecular structure of (2Z,5Z)-3-(2-meth#173;oxy#173;phen#173;yl)-2-(2-meth#173;oxy#173;phen#173;yl)imino-5-(4-nitro#173;benzyl#173;idene)thia#173;zolidin-4-one

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In the title compound, C24H19N3O5S, the thia#173;zole ring (r.m.s. deviation = 0.012#8197;#197;) displays a planar geometry and is surrounded by three fragments, two meth#173;oxy#173;phenyl and one nitro#173;phenyl. The thia#173;zole ring is almost in the same plane as the nitro#173;phenyl ring, making a dihedral angle of 20.92#8197;(6)#176;. The two meth#173;oxy#173;phenyl groups are perpendicular to the thia#173;zole ring dihedral angles of 79.29#8197;(6) and 71.31#8197;(7)#176; and make a dihedral angle of 68.59#8197;(7)#176;. The mol#173;ecule exists in an Z,Z conformation with respect to the C#61;N imine bond. In the crystal, a series of C#8212;H#8943;N, C#8212;H#8943;O and C#8212;H#8943;S hydrogen bonds, augmented by several #960;#8211;#960;(ring) inter#173;actions, produce a three-dimensional architecture of mol#173;ecules stacked along the b-axis direction. The experimentally derived structure is compered with that calculated theoretically using DFT(B3YLP) methods.

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《Acta Crystallographica Section E: Crystallographic Communications》 |2017年第4期|511-514|共4页
作者
Djafri A.; Chouaih A.; Daran J.-C.Hamzaoui F.;
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作者单位

Laboratory of Technology and Solid Properties (LTPS), Abdelhamid Ibn Badis University, BP 227 Mostaganem 27000, Algeria;

Centre de Recherche Scientifique et Technique en Analyses Physico-chimiques (CRAPC), BP 384-Bou-Ismail-RP 42004, Tipaza, Algeria;

Laboratory of Organic Applied Synthesis (LSOA), Department of Chemistry, Faculty of Sciences, University of Oran 1, Ahmed Ben Bella, 31000 Oran, Algeria;

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正文语种英语
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CRYSTAL STRUCTURE; THIAZOLIDIN-4-ONE; DFT CALCULATIONS; HYDROGEN BONDING; PI-PI INTERACTIONS;

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Crystal and mol#173;ecular structure of (2Z,5Z)-3-(2-meth#173;oxy#173;phen#173;yl)-2-(2-meth#173;oxy#173;phen#173;yl)imino-5-(4-nitro#173;benzyl#173;idene)thia#173;zolidin-4-one

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