CRYSTAL STRUCTURE OF 2-(PHENYLAMINO THIOFORMYD-3,4,5,6-TETRAHYDROPYRIMIDINE

<正> The title compound 2-(phenylamino thioformyl)-3,4,5,6-tetrahy-dropyrimidine(C11H13N3S,Mr=219)was synthesized by the reaction of N,N'-diphenyl dithiooxamide with 1,3-diamine trimethylene.The crystal is monoclinic,space group P21,with unit cell constants a=6.253(1),b=7.304(1),c=12.027(2)A,β=102.71(1)°,Z=2,V=535.9(2)A3,Dc=1.35.g/cm3.The final deviation factor R=0.025.The result reveals that the dihedral angle between the thio-formyl group [S,C(7),C(8),N(1)]and the phenyl ring is 33.4°,and the thio-formyl group and the mean plane of the atoms [N(3),C(8),N(2),C(9)]are nearly coplanar.

CRYSTAL STRUCTURE OF 2-(PHENYLAMINO THIOFORMYD-3,4,5,6-TETRAHYDROPYRIMIDINE

The title compound 2-(phenylamino thioformyl)-3,4,5,6-tetrahy-dropyrimidine(C11H13N3S,Mr=219)was synthesized by the reaction of N,N'-diphenyl dithiooxamide with 1,3-diamine trimethylene.The crystal is monoclinic,space group P21,with unit cell constants a=6.253(1),b=7.304(1),c=12.027(2)A,β=102.71(1)°,Z=2,V=535.9(2)A3,Dc=1.35.g/cm3.The final deviation factor R=0.025.The result reveals that the dihedral angle between the thio-formyl group [S,C(7),C(8),N(1)]and the phenyl ring is 33.4°,and the thio-formyl group and the mean plane of the atoms [N(3),C(8),N(2),C(9)]are nearly coplanar.