Synthesis and Crystal Structure of 9-Amino-7-(2-chlorophenyl)-6H-benzo[c]thiochromene-8,8,10(7H)-tricarbonitrile DMF Solvate

被引：0
|
作者：
王树良 [1 ]
盛洁 [1 ]
屠树江 [1 ]
王香善 [1 ]
机构：
[1] School of Chemistry and Chemical Engineering,Jiangsu Key Laboratory of Green Synthetic Chemistry for Functional Materials,Xuzhou Normal University
来源：
Chinese Journal of Structural Chemistry | 2012年 / 31卷 / 01期
关键词：
crystal structure; chromene; NMR; hydrogen bond;
D O I：
暂无
中图分类号：
O621.25 [];
学科分类号：
070303 ; 081704 ;
摘要：
The title compound 9-amino-7-(2-chlorophenyl)-6H-benzo[c]thiochromene-8,8,10(7H)-tricarbonitrile DMF solvate(C25H20ClN5OS,Mr = 473.97) was synthesized and crystallized.The crystal belongs to triclinic,space group P1 with a = 7.6393(2),b = 10.5212(3),c = 15.0573(4) ,α = 86.797(1),β = 79.445(1),γ = 75.379(1)°,Z = 2,V = 1151.16(5) 3,Dc = 1.367 g.cm-3,μ(MoKα) = 0.285 mm-1,F(000) = 492,R = 0.0389 and wR = 0.1005 for 3455 observed reflections(I > 2σ(I)).X-ray analysis reveals that the new six-numbered ring(C(1)-C(6)) forms a skew boat conformation.The molecule links a molecule of DMF via the N(1)-H(1A)...O(1) hydrogen bond,while another hydrogen bond C(23)-H(23A)...N(2) links adjacent molecules,forming dimmers along the a axis.
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页码：100 / 104
页数：5
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