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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

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Abstract

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) 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.

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ACKNOWLEDGMENTS

RK acknowledges the Research Grants as sanctioned under RUSA 2.0 Project (no. RUSA/JU/2/2019-20/111/3588-3636).

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Authors and Affiliations

  1. X-ray Crystallography Laboratory, Department of Physics, University of Jammu, 180006, Jammu Tawi, India

    G. Sharma, S. Anthal & R. Kant

  2. Department of Chemistry, Shivaji University, 416004, Kolhapur, India

    M. B. Deshmukh, P. P. Mohire & T. R. Bhosale

  3. School of Pure and Applied Physics, Mahatma Gandhi University, 686560, Kottayam, Kerala, India

    C. Sudarsanakumar

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  1. G. Sharma
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Sharma, G., Anthal, S., Deshmukh, M.B. et al. 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. Crystallogr. Rep. 66, 1233–1237 (2021). https://doi.org/10.1134/S1063774521070166

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