Synthesis and crystal structure of 1-phenyl-2-cyano-3-amino-3a,3b,6,7-tetrahydrobenzo[4,5]indene

被引：0
|
作者：
Shi, DQ [1 ]
Wang, JX
Rong, LC
Zhuang, QY
Hu, HW
机构：
[1] Xuzhou Normal Univ, Dept Chem, Xuzhou 221009, Peoples R China
[2] Nanjing Univ, Dept Chem, Nanjing 210093, Peoples R China
[3] Key Lab Biotechnol Med Plant, Xuzhou 221009, Jiangsu, Peoples R China
来源：
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2004年 / 23卷 / 02期
关键词：
tetrahydrobenzo[4,5]indene; synthesis; crystal structure; low-valent titanium;
D O I：
暂无
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The title compound, 1-phenyl-2-cyano-3-amino-3a,3b,6,7-tetrahydrobenzo[4,5]indene (C20H18N2), has been synthesized by the reductive cyclization of 2-cyano-3-phenyl-3-(1-tetralon-2-yl)propionitrile induced by low-valent titanium reagent and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P (1) over bar with a = 9.169(2), b = 9.520(2), c = 10.276(2) Angstrom, alpha = 91.09(1), beta = 107.95(1), gamma = 111.05(2)degrees, V = 787.8(3) Angstrom(3), M-r = 286.36, D-c = 1.207 g/cm(3), Z = 2, mu(MoKalpha) = 0.071 mm(-1), F(000) = 304, R = 0.0399 and wR = 0.1008. X-ray analysis revealed that the five-membered ring (C(7)similar to(11)) adopts an envelope conformation, while the six-membered ring (C(10)similar toC(15)) has a half-chair conformation. Meanwhile, the intermolecular H-bond interaction results in the formation of dimer.
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页码：219 / 222
页数：4
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