The crystal structure of the title compound 2 (P, P Diphenoxy)phosphono( p methyl)benzyl 1, 2 benzisoselenazol 3 (2H) one, C 27 H 22 NO 4PSe, was determined by single crystal X ray diffr...The crystal structure of the title compound 2 (P, P Diphenoxy)phosphono( p methyl)benzyl 1, 2 benzisoselenazol 3 (2H) one, C 27 H 22 NO 4PSe, was determined by single crystal X ray diffraction. It crystallizes in the triclinic system, space group P1 (No. 2) with M r=534.41, a=9.761(2), b=10.304(2), c=13.396(3) , α=110.97(3), β=107.70(3). γ=90.02(3)°, V=1190(1) 3, Z=2, D x =1.492 g/cm 3 , λ=0.71073 , μ =1.6596 mm 1 and F(000)=544. The structure was solved by direct methods. The final R factor is 0.068 and R w is 0.074 for 2500 unique observed reflections I≥3σ(I) . The results presented herein indicate that the selenium containing bicyclic moiety is a coplanar structure and that two adjacent molecules are symmetrically linked to each other forming a dimer through the Se(1c)…O=P(1) bonding interaction with an intermolecular Se(1c)…O distance of 2.797 .展开更多
文摘The crystal structure of the title compound 2 (P, P Diphenoxy)phosphono( p methyl)benzyl 1, 2 benzisoselenazol 3 (2H) one, C 27 H 22 NO 4PSe, was determined by single crystal X ray diffraction. It crystallizes in the triclinic system, space group P1 (No. 2) with M r=534.41, a=9.761(2), b=10.304(2), c=13.396(3) , α=110.97(3), β=107.70(3). γ=90.02(3)°, V=1190(1) 3, Z=2, D x =1.492 g/cm 3 , λ=0.71073 , μ =1.6596 mm 1 and F(000)=544. The structure was solved by direct methods. The final R factor is 0.068 and R w is 0.074 for 2500 unique observed reflections I≥3σ(I) . The results presented herein indicate that the selenium containing bicyclic moiety is a coplanar structure and that two adjacent molecules are symmetrically linked to each other forming a dimer through the Se(1c)…O=P(1) bonding interaction with an intermolecular Se(1c)…O distance of 2.797 .
