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5-（甲氧基羰基）硫代噻吩-2-羧酸

5-(Methoxy-carbon-yl)thio-phene-2-carboxylic acid.

作者信息

Xia Guang-Ming, Ji Mu-Wei, Lu Ping, Sun Guo-Xin, Xu Wen-Fang

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 16;66(Pt 1):o148. doi: 10.1107/S1600536809053161.

DOI:10.1107/S1600536809053161
PMID:21580038
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980070/
Abstract

In the title compound, C(7)H(6)O(4)S, a monoester derivative of 2,5-thio-phene-dicarboxylic acid, the carboxylic acid and the carboxylic acid ester groups are approximately coplanar with thio-phene ring, making a dihedral angle of 3.1 (4) and 3.6 (4)°, respectively. In the crystal structure, mol-ecules are connected by classical inter-molecular O-H⋯O hydrogen bonds, forming centrosymmetric dimers.

摘要

在标题化合物C₇H₆O₄S（2,5-噻吩二甲酸的单酯衍生物）中，羧酸和羧酸酯基团与噻吩环大致共面，二面角分别为3.1（4）°和3.6（4）°。在晶体结构中，分子通过经典的分子间O—H⋯O氢键相连，形成中心对称二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4c2/2980070/46e7aaeaef61/e-66-0o148-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4c2/2980070/c238420bcdbd/e-66-0o148-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4c2/2980070/46e7aaeaef61/e-66-0o148-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4c2/2980070/c238420bcdbd/e-66-0o148-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c4c2/2980070/46e7aaeaef61/e-66-0o148-fig2.jpg

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