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N-(2,4-二氧代-1,3-噻唑烷-3-基)-2-(4-异丁基苯基)丙酰胺

N-(2,4-Dioxo-1,3-thia-zolidin-3-yl)-2-(4-isobutyl-phen-yl)propanamide.

作者信息

Fun Hoong-Kun, Goh Jia Hao, Vinayaka A C, Kalluraya B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2094. doi: 10.1107/S160053680903027X.

DOI:10.1107/S160053680903027X
PMID:21577510
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2970021/
Abstract

In the title compound, C(16)H(20)N(2)O(3)S, the thia-zolidine ring is approximately planar [maximum deviation = 0.020 (2) Å] and forms a dihedral angle of 86.20 (11)° with the benzene ring. The mean plane through the propanamide unit forms dihedral angles of 88.54 (12) and 76.36 (12)°, respectively, with the thia-zolidine and benzene rings. In the crystal structure, mol-ecules are linked into chains along the a axis by N-H⋯O inter-actions. These chains are inter-connected into two-dimensional arrays parallel to the ab plane by three different C-H⋯O inter-actions. The crystal structure is further stabilized by weak inter-molecular C-H⋯π and N⋯O [2.713 (2) Å] inter-actions.

摘要

在标题化合物C₁₆H₂₀N₂O₃S中,噻唑烷环近似平面结构[最大偏差 = 0.020 (2) Å],并与苯环形成86.20 (11)°的二面角。通过丙酰胺单元的平均平面分别与噻唑烷环和苯环形成88.54 (12)°和76.36 (12)°的二面角。在晶体结构中,分子通过N—H⋯O相互作用沿a轴连接成链。这些链通过三种不同的C—H⋯O相互作用相互连接成平行于ab平面的二维阵列。晶体结构通过弱分子间C—H⋯π和N⋯O [2.713 (2) Å]相互作用进一步稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d0ab/2970021/dff8e37d6d1a/e-65-o2094-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d0ab/2970021/8f28a2a06746/e-65-o2094-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d0ab/2970021/dff8e37d6d1a/e-65-o2094-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d0ab/2970021/8f28a2a06746/e-65-o2094-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/d0ab/2970021/dff8e37d6d1a/e-65-o2094-fig2.jpg

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