Synthesis and Crystal Structure of 9-Amino-7-（2-chlorophenyl）-6H-benzocthiochromene-8,8,10（7H）-tricarbonitrile DMF Solvate

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.