半水合(6-羟基-1-苯并呋喃-3-基)乙酸乙酯的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-21 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814024349

G Krishnaswamy, P A Suchetan, S Sreenivasa, S Naveen, N K Lokanath, D B Aruna Kumar

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引用次数: 0

摘要

在标题水合物C12H12O4·1.5H2O中，不对称单元中的一个水分子位于双旋转轴上。苯并呋喃衍生物的分子基本上是平面的(非h原子的均方根偏差= 0.021 Å)，酯基采用完全扩展的构象。在晶体中，水分子和羟基之间的O- h⋯O氢键产生中心对称的r6(6)(12)环基序。这些r6(6)(12)环被融合，形成沿c轴方向延伸的一维基序。

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 ethyl (6-hy-droxy-1-benzo-furan-3-yl)acetate sesquihydrate.

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Crystal structure of ethyl (6-hy-droxy-1-benzo-furan-3-yl)acetate sesquihydrate.

In the title hydrate, C12H12O4·1.5H2O, one of the water mol-ecules in the asymmetric unit is located on a twofold rotation axis. The mol-ecule of the benzo-furan derivative is essentially planar (r.m.s. deviation for the non-H atoms = 0.021 Å), with the ester group adopting a fully extended conformation. In the crystal, O-H⋯O hydrogen bonds between the water mol-ecules and the hy-droxy groups generate a centrosymmetric R 6 (6)(12) ring motif. These R 6 (6)(12) rings are fused, forming a one-dimensional motif extending along the c-axis direction.

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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.