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

The structure of 3,3'-[(3-sulfanylphenyl)methylene]bis(4-hydroxy-2 H -1-benzopyran-2-one) : 5-methyl-1,3-thiazol-2(3 H )-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) Å, b = 15.2...

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Veröffentlicht in:Crystallography reports 2021-12, Vol.66 (7), p.1233-1237
Hauptverfasser: Sharma, G., Anthal, S., Deshmukh, M. B., Mohire, P. P., Bhosale, T. R., Sudarsanakumar, C., Kant, R.
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Sprache:eng
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Zusammenfassung:The structure of 3,3'-[(3-sulfanylphenyl)methylene]bis(4-hydroxy-2 H -1-benzopyran-2-one) : 5-methyl-1,3-thiazol-2(3 H )-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) Å, b = 15.2487(9) Å, c = 8.3462(4) Å, β = 92.86(2)°, 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.
ISSN:1063-7745
1562-689X
DOI:10.1134/S1063774521070166