Electron density study of 2H-chromene-2-thione
نویسندگان
چکیده
منابع مشابه
Electron density study of 2H-chromene-2-thione.
The charge-density distribution in 2H-chromene-2-thione (2-thiocoumarin), C(9)H(6)OS, has been determined from X-ray diffraction data measured at 90 K using a CCD detector, to a resolution of sintheta/lambda < 1.08 A(-1). A multipolar-atom density model was fitted against 6908 reflections with I > 2sigma(I) [R(F) = 0.021, wR(F) = 0.022, goodness of fit = 1.81] in order to generate the differenc...
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The title compound, C(19)H(14)O(4), was prepared by the reaction of 2-oxo-2H-chromene-3-acyl chloride with cinnamic alcohol. The whole mol-ecule is not planar, the dihedral angle between the planes of coumarin and benzene rings being 13.94 (4)°, but the plane of the coumarin ring and that of the ester group are almost coplanar, making a dihedral angle of 2.9 (1)°. In the crystal structure, weak...
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The title compound, C(20)H(24)O(4), was synthesized from the reaction of 2-oxo-2H-chromene-3-acyl chloride and menthol. The mean plane of the ester group and that of the four essentially planar (maximum deviation 0.0112 Å) C atoms of the chair-form cyclo-hexyl ring form dihedral angles of 43.8 (3) ° and 81.8 (1)°, respectively, with the mean plane of the coumarin ring system. In the crystal str...
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The title compound, C(11)H(8)O(4), features an almost planar mol-ecule (r.m.s. deviation = 0.033 Å for all non-H atoms). In the crystal, the mol-ecules are linked via C-H⋯O hydrogen bonds, forming two-dimensional networks lying parallel to (1-21).
متن کامل2-Ferrocenyl-3-nitro-2H-chromene
In the title compound, [Fe(C5H5)(C14H10NO3)], the cyclo-penta-dienyl rings are in an eclipsed conformation and the pyran ring adopts a half-chair conformation. The mean plane of the pyran ring makes dihedral angles of 79.33 (1) and 80.73 (1)°, respectively, with the substituted and unsubstituted cyclo-penta-dienyl rings. In the crystal, pairs of C-H⋯O hydrogen bonds link the mol-ecules into inv...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section B Structural Science
سال: 2003
ISSN: 0108-7681
DOI: 10.1107/s0108768103001666