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Synthesis and Crystal Structure of N_3-(Dimethyl-pyrimidine)-N_4-(tri-O-acetyl-xylosyl) Thiourea

Synthesis and Crystal Structure of N_3-(Dimethyl-pyrimidine)-N_4-(tri-O-acetyl-xylosyl) Thiourea
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摘要 The crystal structure of the title compound (C18H24N4O7S, Mr = 440.47) was prepared by the condensation of 2,3,4-tri-O-acetyl-β-D-xylopyranosyl isothiocyanate with 4,6-dimethylpyrimidin-2-amine and structurally determined by single-crystal X-ray diffraction. The crystal belongs to the monochnic system, space group P2 1 with a = 7.5500(17), b = 10.498(2), c = 14.208(3) A, β = 99.929(4)°, V = 1109.2(4) A^3, Z = 2, Dc = 1.319 g/cm^3,μ = 0.191, F(000) = 464, Flack = 0.00(15), R = 0.0684 and wR = 0.1103. In the crystal structure, the xylose ring adopts a ^4C1 chair conformation. Due to the hydrogen bonding interaction between N(4)-H(4A) and N(1), the pyrimidine ring is well positioned. The crystal structure of the title compound (C18H24N4O7S, Mr = 440.47) was prepared by the condensation of 2,3,4-tri-O-acetyl-β-D-xylopyranosyl isothiocyanate with 4,6-dimethylpyrimidin-2-amine and structurally determined by single-crystal X-ray diffraction. The crystal belongs to the monochnic system, space group P2 1 with a = 7.5500(17), b = 10.498(2), c = 14.208(3) A, β = 99.929(4)°, V = 1109.2(4) A^3, Z = 2, Dc = 1.319 g/cm^3,μ = 0.191, F(000) = 464, Flack = 0.00(15), R = 0.0684 and wR = 0.1103. In the crystal structure, the xylose ring adopts a ^4C1 chair conformation. Due to the hydrogen bonding interaction between N(4)-H(4A) and N(1), the pyrimidine ring is well positioned.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2008年第3期321-325,共5页 结构化学(英文)
基金 the China Postdoctoral Science Foundation (20060400917) Jiangsu Postdoctoral Science Foundation (No. 0602002B)
关键词 xylopyranosyl isothiocyanate 4 6-dimethylpyrimidin-2-amine crystal structure synthesis xylopyranosyl isothiocyanate, 4,6-dimethylpyrimidin-2-amine, crystal structure, synthesis
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