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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

Synthesis and Crystal Structure Analysis of 3,3'-[(3-Sulfanyl... 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Crystallography Reports Springer Journals

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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Publisher
Springer Journals
Copyright
Copyright © Pleiades Publishing, Inc. 2021. ISSN 1063-7745, Crystallography Reports, 2021, Vol. 66, No. 7, pp. 1233–1237. © Pleiades Publishing, Inc., 2021.
ISSN
1063-7745
eISSN
1562-689X
DOI
10.1134/s1063774521070166
Publisher site
See Article on Publisher Site

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.

Journal

Crystallography Reports – Springer Journals

Published: Dec 1, 2021

References

  • X-ray Struct
    Manolov, I.; Morgenstern, B.; Hegetschweiler, K.
  • X-ray Struct
    Dochev, S.; Roller, A.; Milunovic, M.