Crystal　Structures　of　O－Vanillin－semicarbazide　and　Salicylaldehyde－semicarbazide  

作　　者：Li Shu-Lan Liu De-Xin Zhou Jian-Hua Meng Fan-Qin(Department of Chemistry, Shandong University, Jinan, 250100) 

出　　处：《Chinese Journal of Structural Chemistry》1995年第2期88-93,共6页结构化学（英文）

摘　　要：o-Vanillin-semicarbazide C_9H_(11) N_3O_3, written simply as cpl, M_r= 209. 21 is a yellow crystal. Cp1 crystallizes in the monoclinic space group P2_1/a with unit cell parameters: a= 6. 596(6) , b=20. 534(6) , c=7. 108(6) , β=99.00(8)°,Z=4, D_c=1. 46 g/cm￣3, V=951 , μ=1. 05cm￣(-1), F(000)=440, R=0. 058, R_w =0. 056. Salicylaldehyde-semicarbazide C_8H_9N_3O_2, written simply as cp2, M_r=179.18 is a colorless crystal. cp2 crystallizes in the triclinic space group P1 with a= 5.276 (3), b=7. 116(4) , c=24. 286(3), a=86. 72(3) ,β=83. 99(3),γ=68.22(5) °,Z=4 , D_c=1. 41 g/cm￣3, V=841.9,μ=0. 98 cm ￣(-1),F (000)=376, R=0.066,R_w= 0. 067. The dihedral angle between plane 1 formed by benzene ring and plane 2 by N(2) , C(2), N(3), and O(3) is 161.40°for cp1, while the angle between plane 3 made by benzene ring (or benzene ring in the other molecule)and plane 4 by N(2) , C (18) , N(3) and O(3) For N(5),C(28) , O(4) , and N(6)]is 15. 07°(or 15. 15°) for cp2. The temperature of the thermodecomposition of cp1 is higher than that of cp2.o-Vanillin-semicarbazide C_9H_(11) N_3O_3, written simply as cpl, M_r= 209. 21 is a yellow crystal. Cp1 crystallizes in the monoclinic space group P2_1/a with unit cell parameters: a= 6. 596(6) , b=20. 534(6) , c=7. 108(6) , β=99.00(8)°,Z=4, D_c=1. 46 g/cm￣3, V=951 , μ=1. 05cm￣(-1), F(000)=440, R=0. 058, R_w =0. 056. Salicylaldehyde-semicarbazide C_8H_9N_3O_2, written simply as cp2, M_r=179.18 is a colorless crystal. cp2 crystallizes in the triclinic space group P1 with a= 5.276 (3), b=7. 116(4) , c=24. 286(3), a=86. 72(3) ,β=83. 99(3),γ=68.22(5) °,Z=4 , D_c=1. 41 g/cm￣3, V=841.9,μ=0. 98 cm ￣(-1),F (000)=376, R=0.066,R_w= 0. 067. The dihedral angle between plane 1 formed by benzene ring and plane 2 by N(2) , C(2), N(3), and O(3) is 161.40°for cp1, while the angle between plane 3 made by benzene ring (or benzene ring in the other molecule)and plane 4 by N(2) , C (18) , N(3) and O(3) For N(5),C(28) , O(4) , and N(6)]is 15. 07°(or 15. 15°) for cp2. The temperature of the thermodecomposition of cp1 is higher than that of cp2.

关 键 词：crystal structure o-vanillin-semicarbazide salicylaldehyde-semicarbazide 

分 类 号：O626.414[理学—有机化学] O76[理学—化学]