The title compound, 4-tert-butyl-6-（4-chlorophenyl）-3,6-dihydro-2H-1,3-thiazin- 2-iminium chloride （C14H18C12N2S）, has been synthesized by the reaction of 1-（4-chlorophenyl）- 4,4-dimethylpent-1-en-3-one with thi...The title compound, 4-tert-butyl-6-（4-chlorophenyl）-3,6-dihydro-2H-1,3-thiazin- 2-iminium chloride （C14H18C12N2S）, has been synthesized by the reaction of 1-（4-chlorophenyl）- 4,4-dimethylpent-1-en-3-one with thiourea, and its crystal structure was determined by single- crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P211c with a = 16.3064（11）, b = 9.4471（6）, c = 11.2626 （8）A, β = 108.400（1）°, Z = 4, V = 1646.28（19） A^3, Mr = 317.26, Dc = 1.280 g/cm^3, S = 1.078,μ = 0.510 mm^-1, F（000） = 664, the final R = 0.0514 and wR = 0.1412 for 3210 observed reflections （I 〉 2σ（I））. The thiazine ring system displays a twisted boat conformation, and three N-H,..Cl hydrogen bonds exist in the crystal. The combination of two N-H...Cl hydrogen bonds generate an R2^1 （6） ring.展开更多
A series of 2 amino 3 cyano 4 aryl 4H benzochromenes were synehesized by the reaction of malononitrile and 1 naphthol with corresponding aromatic aldehydes in ethanol in the presence of piperidine as catalyst. The str...A series of 2 amino 3 cyano 4 aryl 4H benzochromenes were synehesized by the reaction of malononitrile and 1 naphthol with corresponding aromatic aldehydes in ethanol in the presence of piperidine as catalyst. The structures of all compounds obtained were characterized by elemental analysis, IR, 1H NMR and single crystal X ray diffractometry. X ray crystal structure analysis indicates compound 4b crystallizes in monoclinic, with space group C2/c, a = 2 422 1(6) nm , b = 0 901 6(2) nm , c = 1 700 3(5) nm , β =93 16(1)°, V = 3 707 4(15) nm 3 , Z =8, D c= 1 284 g/cm 3 , I≥2σ(I) =2 141, R = 0 043 2 , wR = 0 108 5 . Compared to other methods, this method has the advantages of simple operation and good yields.展开更多
基金supported by the National Project of Scientific and Technical Supporting Programs Funded by Ministry of Science & Technology of China (No 2006BAE01A01-4)
文摘The title compound, 4-tert-butyl-6-（4-chlorophenyl）-3,6-dihydro-2H-1,3-thiazin- 2-iminium chloride （C14H18C12N2S）, has been synthesized by the reaction of 1-（4-chlorophenyl）- 4,4-dimethylpent-1-en-3-one with thiourea, and its crystal structure was determined by single- crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P211c with a = 16.3064（11）, b = 9.4471（6）, c = 11.2626 （8）A, β = 108.400（1）°, Z = 4, V = 1646.28（19） A^3, Mr = 317.26, Dc = 1.280 g/cm^3, S = 1.078,μ = 0.510 mm^-1, F（000） = 664, the final R = 0.0514 and wR = 0.1412 for 3210 observed reflections （I 〉 2σ（I））. The thiazine ring system displays a twisted boat conformation, and three N-H,..Cl hydrogen bonds exist in the crystal. The combination of two N-H...Cl hydrogen bonds generate an R2^1 （6） ring.
基金supported by the Program for Changjiang Scholars and Innovative Research Team in University(IRT1061)the Program for Innovative Research Team in Science and Technology in University of Henan Province(15IRTSTHN003)+1 种基金the Young Backbone Teachers Training Fund of the Education Department of Henan Province(2013GGJS-059)Henan Normal University(2011-8)
文摘A series of 2 amino 3 cyano 4 aryl 4H benzochromenes were synehesized by the reaction of malononitrile and 1 naphthol with corresponding aromatic aldehydes in ethanol in the presence of piperidine as catalyst. The structures of all compounds obtained were characterized by elemental analysis, IR, 1H NMR and single crystal X ray diffractometry. X ray crystal structure analysis indicates compound 4b crystallizes in monoclinic, with space group C2/c, a = 2 422 1(6) nm , b = 0 901 6(2) nm , c = 1 700 3(5) nm , β =93 16(1)°, V = 3 707 4(15) nm 3 , Z =8, D c= 1 284 g/cm 3 , I≥2σ(I) =2 141, R = 0 043 2 , wR = 0 108 5 . Compared to other methods, this method has the advantages of simple operation and good yields.
