Crystal structure of 2-oxo-2H-chromen-3-yl propanoate
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چکیده
منابع مشابه
Crystal structure of 2-oxo-2H-chromen-3-yl propanoate
In the title compound, C12H10O4, the dihedral angle between the coumarin ring system [maximum deviation = 0.033 (8) Å] and the propionate side chain is 78.48 (8)°. In the crystal, weak C-H⋯O hydrogen bonds generate inversion dimers and and C-H⋯π and π-π inter-actions link the dimers into a three-dimensional network. A quantum chemical calculation is in good agreement with the observed structure.
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In the title compound, C16H9ClO4 the dihedral angle between the coumarin ring system [maximum deviation = 0.023 (1) Å] and the benzene ring is 73.95 (8)°. In the crystal, π-π inter-actions link the dimers into a three-dimensional framework. A quantum chemical calculation is in generally good agreement with the observed structure, although the calculated dihedral angle between the ring systems (...
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The crystal structure of the potential active N-[2-(6-Methoxy-2-oxo-2H-chromen-4-yl)-benzofuran-3-yl]-benzamide (C25H17NO5) (I) has been determined from single crystal X-ray diffraction data. The title compound crystallizes in the monoclinic space group P 21/n, with a = 12.0551(11), b = 9.7853(8), c = 16.6517(16) Å, β = 90.092(4) ̊, V = 1964.28(3) Å, Dcalc = 1.391 Mg/m, Z = 4. In the structure, ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Crystallographic Communications
سال: 2016
ISSN: 2056-9890
DOI: 10.1107/s2056989016015279