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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Two closely related 2-(benzo­furan-2-yl)-2-oxoethyl benzoates: structural differences and C—H⋯O hydrogen-bonded supra­molecular assemblies
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Two closely related 2-(benzo­furan-2-yl)-2-oxoethyl benzoates: structural differences and C—H⋯O hydrogen-bonded supra­molecular assemblies

机译：两种紧密相关的2-（苯并呋喃-2-基）-2-氧代乙基苯甲酸酯：结构差异和CHOH氢键超分子组装

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摘要

The compounds 2-(1-benzo­furan-2-yl)-2-oxoethyl 2-nitro­benzoate, C17H11NO6 (I), and 2-(1-benzo­furan-2-yl)-2-oxoethyl 2-amino­benzoate, C17H13NO4 (II), were synthesized under mild conditions. Their mol­ecular structures were characterized by both spectroscopic and single-crystal X-ray diffraction analysis. The mol­ecular conformations of both title compounds are generally similar. However, different ortho-substituted moieties at the phenyl ring of the two compounds cause deviations in the torsion angles between the carbonyl group and the attached phenyl ring. In compound (I), the ortho-nitro­phenyl ring is twisted away from the adjacent carbonyl group whereas in compound (II), the ortho-amino­phenyl ring is almost co-planar with the carbonyl group. In the crystal of compound (I), two C—H⋯O hydrogen bonds link the mol­ecules into chains propagating along the c-axis direction and the chains are inter­digitated, forming sheets parallel to [20-1]. Conversely, pairs of N—H⋯O hydrogen bonds in compound (II) link inversion-related mol­ecules into dimers, which are further extended by C—H⋯O hydrogen bonds into dimer chains. These chains are inter­connected by π–π inter­actions involving the furan rings, forming sheets parallel to the ac plane.
机译：化合物2-（1-苯并呋喃-2-基）-2-氧代乙基2-硝基苯甲酸酯，C17H11NO6（I）和2-（1-苯并呋喃-2-基）-2-氧代乙基2-氨基苯甲酸酯，C17H13NO4（II）在温和条件下合成。通过光谱学和单晶X射线衍射分析对它们的分子结构进行了表征。两种标题化合物的分子构象通常相似。但是，两种化合物的苯环上不同的邻位取代部分会导致羰基和连接的苯环之间的扭转角发生偏差。在化合物（I）中，邻硝基苯基环被扭离相邻的羰基，而在化合物（II）中，邻氨基苯基环几乎与羰基共面。在化合物（I）的晶体中，两个CHHO氢键将分子连接成沿c轴方向传播的链，并且链相互交叉，形成平行于[20-1]的片。相反，化合物（II）中成对的N-H⋯O氢键将与反转相关的分子连接成二聚体，再由C-H⋯O氢键延伸成二聚体链。这些链通过涉及呋喃环的π-π相互作用相互连接，形成平行于ac平面的薄片。

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