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Synthesis and Crystal Structure of 2-Amino-4- chloro-5-(4-methylbenzyl)-6-methylpyrimidine 被引量:1

Synthesis and Crystal Structure of 2-Amino-4- chloro-5-(4-methylbenzyl)-6-methylpyrimidine
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摘要 The title compound 2-amino-4-chloro-5-(4-methylbenzyl)-6-methylpyrimidine (C26H28Cl2N6, Mr = 495.44) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 14.892(7), b = 6.129(3), c = 14.889(7)A, β = 109.795(8)°, V = 1278.7(10)A^ 3, Z = 2, F(000) = 520, Dc = 1.287 g/cm^3, μ = 0.280 mm^-1, the final R = 0.0577 and wR = 0.1589 for 1357 observed reflections with I 〉 2σ(I). A total of 6091 reflections were collected, of which 2257 were independent (Rint = 0.033). The X-ray analysis reveals that the chlorine atom and methyl of the title compound are disordered. The title compound 2-amino-4-chloro-5-(4-methylbenzyl)-6-methylpyrimidine (C26H28Cl2N6, Mr = 495.44) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 14.892(7), b = 6.129(3), c = 14.889(7)A, β = 109.795(8)°, V = 1278.7(10)A^ 3, Z = 2, F(000) = 520, Dc = 1.287 g/cm^3, μ = 0.280 mm^-1, the final R = 0.0577 and wR = 0.1589 for 1357 observed reflections with I 〉 2σ(I). A total of 6091 reflections were collected, of which 2257 were independent (Rint = 0.033). The X-ray analysis reveals that the chlorine atom and methyl of the title compound are disordered.
出处 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第9期1005-1008,共4页 结构化学(英文)
基金 This work was supported by China 973 Program (No. 2003 CB114406)
关键词 SYNTHESIS crystal structure X-ray diffraction synthesis, crystal structure, X-ray diffraction
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