Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth-yl]-2-(3,4,5-tri-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-05 eCollection Date: 2014-12-01 DOI:10.1107/S160053681402340X

Rodolfo Moreno-Fuquen, Juan C Castillo, Rodrigo Abonia, Javier Ellena, Carlos A De Simone

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引用次数: 0

摘要

在名称为 C20H21NO6S 的噻唑烷-4-酮衍生物中，中心噻唑烷环基本上是平面的（所有非 H 原子的 r.m.s. 偏差 = 0.0287 Å），与甲氧基取代的苯环形成 88.25 (5)° 的二面角，与 1,3- 苯并二恶茂环形成 74.21 (4)° 的二面角。与苯环融合的杂环（含两个 O 原子）以非环连接的 C 原子为瓣膜，呈包络构象。在晶体中，分子小体通过微弱的 C-H⋯O 相互作用沿 [001] 链连接，形成 R (4) 4(28) 边缘融合环。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth-yl]-2-(3,4,5-tri-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

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Crystal structure of (±)-3-[(benzo[d][1,3]dioxol-5-yl)meth-yl]-2-(3,4,5-tri-meth-oxy-phen-yl)-1,3-thia-zolidin-4-one.

In the title thia-zolidine-4-one derivative, C20H21NO6S, the central thia-zolidine ring is essentially planar (r.m.s. deviation for all non-H atoms = 0.0287 Å) and forms a dihedral angle of 88.25 (5)° with the meth-oxy-substituted benzene ring and 74.21 (4)° with the 1,3-benzodioxole ring. The heterocyclic ring (with two O atoms) fused to benzene ring adopts an envelope conformation with the non-ring-junction C atom as the flap. In the crystal, the mol-ecules are linked into chains along [001] through weak C-H⋯O inter-actions, forming R (4) 4(28) edge-fused rings.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.