2012Journal of Chongqing University of Arts and SciencesRequires access

Synthesis and crystal structure of spiro-thiazine derivatives

Jiahong He

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Abstract

The title compound has been synthesized via a green microwave-assisted one-pot two-step reaction of 1-isothiocyanato-4-methylbenzene with 2-cyanoacetamide and cyclobutanone in DMF,and its structure was determined by monocrystalline X-ray diffraction.The crystal is triclinic,space group P-1 with a=6.4434(6) nm,b= 11.2490(12) nm,c= 11.3527(14) nm,α= 115.042(2)°,β= 104.481(10)°,γ= 94.405(10)°,Mr= 285.36,V= 706.01(13) nm3,Dc= 1.342 gcm3,Z= 2,μ(MoKα) = 0.228 mm-1,F(000) = 300.The structure was solved by direct methods and refined by the full-matrix method of least-squares to the final R= 0.051 8,Rw= 0.122 6.

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The title compound has been synthesized via a green microwave-assisted one-pot two-step reaction of 1-isothiocyanato-4-methylbenzene with 2-cyanoacetamide and cyclobutanone in DMF,and its structure was determined by monocrystalline X-ray diffraction.The crystal is triclinic,space group P-1 with a=6.4434(6) nm,b= 11.2490(12) nm,c= 11.3527(14) nm,α= 115.042(2)°,β= 104.481(10)°,γ= 94.405(10)°,Mr= 285.36,V= 706.01(13) nm3,Dc= 1.342 gcm3,Z= 2,μ(MoKα) = 0.228 mm-1,F(000) = 300.The structure was solved by direct methods and refined by the full-matrix method of least-squares to the final R= 0.051 8,Rw= 0.122 6.

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Available abstract

The title compound has been synthesized via a green microwave-assisted one-pot two-step reaction of 1-isothiocyanato-4-methylbenzene with 2-cyanoacetamide and cyclobutanone in DMF,and its structure was determined by monocrystalline X-ray diffraction.The crystal is triclinic,space group P-1 with a=6.4434(6) nm,b= 11.2490(12) nm,c= 11.3527(14) nm,α= 115.042(2)°,β= 104.481(10)°,γ= 94.405(10)°,Mr= 285.36,V= 706.01(13) nm3,Dc= 1.342 gcm3,Z= 2,μ(MoKα) = 0.228 mm-1,F(000) = 300.The structure was solved by direct methods and refined by the full-matrix method of least-squares to the final R= 0.051 8,Rw= 0.122 6.

Key concepts: Triclinic crystal system, Thiazine, Crystal structure, Crystallography, Chemistry, Monocrystalline silicon, Stereochemistry, Silicon

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