Synthesis and Crystal Structure Analysis of 3,3'-[(3-Sulfanyl Phenyl)Methylene]Bis(4-Hydroxy-2H-1-Benzopyran-2-One): 5-Methyl-1,3-Thiazol-2(3H)-Imine

CRYSTALLOGRAPHY REPORTS(2021)

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摘要
The structure of 3,3'-[(3-sulfanylphenyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one) : 5-methyl-1,3-thiazol-2(3H)-imine was determined by X-ray crystallography. It crystallizes in the monoclinic crystal system with space group Cc. The unit cell parameters are: a = 20.1008(12) angstrom, b = 15.2487(9) angstrom, c = 8.3462(4) angstrom, beta = 92.86(2)degrees, and Z = 4. The crystal structure has been solved by using direct methods and refined by full matrix least squares procedures to a final R-factor of 0.040 (wR(F (2)) = 0.097) for 5152 observed reflections. The bond angles around the chromene moieties are almost identical but deviate significantly from the values observed in some analogous structures. There exists few C-H...O/O-H....O intramolecular hydrogen interactions, besides intermolecular interactions of the type N-H....O, S-H....N, O-H...N, and C-H....S, respectively.
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