Crystal structure of 3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one
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چکیده
منابع مشابه
Crystal structure of 3-[2-(thiophen-3-yl)ethynyl]-2H-chromen-2-one
In the title compound, C15H8O2S, the coumarin moiety is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.025 Å) and is slightly inclined with respect to the plane of the thio-phen-3-yl ring, forming a dihedral angle of 11.75 (8)°. In the crystal, the three-dimensional architecture features a combination of coumarin-thio-phene C-H⋯π and π-π [inter-centroid distance = 3.6612 (12) ...
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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.
متن کاملCrystal structure of 7-[(2E)-2-benzylidene-3-oxobutoxy]-4-methyl-2H-chromen-2-one
Two independent mol-ecules (A and B) comprise the asymmetric unit of the title compound, C21H18O4. There are significant conformational differences between the mol-ecules relating in particular to the relative orientation of the 3-oxo-2-(phenyl-methyl-idene)but-oxy substituent with respect to the superimposable chromen-2-one residues. To a first approximation, the substituents are mirror images...
متن کامل3-Benzyl-2H-chromen-2-one
The title compound, C(16)H(12)O(2), is a coumarin which was isolated from stones of the Chinese traditional medicine Clausena lansium. The pyrone ring is almost planar, with a mean deviation of 0.0135 (4) Å. The benzene ring (A) of the benzopyrone unit forms dihedral angles of 1.82 (5) and 72.86 (2)° with the pyrone ring and the substituent benzene ring, respectively. The crystal structure is s...
متن کاملCrystal structure of 3-[2-(4-methylphenyl)ethynyl]-2H-chromen-2-one
The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methyl-benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra-molecular zigzag chains along the c-axis direction are formed via weak C-H⋯O hydrogen bonds, and these are connected into double layers...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Crystallographic Communications
سال: 2015
ISSN: 2056-9890
DOI: 10.1107/s2056989015002157