Two closely related 2-(benzofuran-2-yl)-2-oxoethyl benzoates: structural differences and C 14H...O hydrogen-bonded supramolecular assemblies

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 analys...

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Main Authors: Li, Yee Then (Author), C. S. , Chidan Kumar (Author), Huey, Chong Kwong (Author), Win, Yip Foo (Author), Siau, Hui Mah (Author), Ching, Kheng Quah (Author), S., Naveen (Author), Warad, Ismail (Author)
Format: Article
Language:English
Published: International Union of Crystallography, 2017.
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Summary: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 14H