Another chiral crystal structure of 1-[4-(Dimethylamino)benzylidene]-4-phenylthiosemicarbazide

被引：0

作者：

Wang, Yu-Jia ^{[1
]}

Luo, Geng-Geng ^{[1
]}

Yu, Yun ^{[3
]}

Lin, Li-Rong ^{[1
]}

Zhang, Hui ^{[1
]}

Huang, Rong-Bin ^{[1
]}

Zheng, Lan-Sun ^{[1
,2
]}

机构：

[1] Xiamen Univ, Dept Chem, Xiamen 361005, Peoples R China

[2] Xiamen Univ, State Key Lab Phys Chem Solid Surface, Xiamen 361005, Peoples R China

[3] Longyan Coll, Dept Chem & Mat Engn, Longyan 364000, Peoples R China

来源：

CHINESE JOURNAL OF ORGANIC CHEMISTRY | 2008年 / 28卷 / 05期

关键词：

1-[4-(dimethylamino)benzylidenel-4-phenylthiosemicarbazide; chiral crystal structure; circular dichroism spectrum;

D O I：

暂无

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

Another chiral crystal of 1-[4-(dimethylamino)benzylidenel-4-phenylthiosemicarbazide (DMB) was obtained, and its absolute structure was determined by X-ray single crystal diffraction and the solid circular dichroism (CD) spectrum. The crystal belongs to orthorhombic system with space group P2(1)2(1)2(1) and a = 0.7870(2), b = 1. 1560(2), c = 1.6668(3) nm(3), V = 1.5164(5) nm, Z= 4, D-c=1.307 g/cm(3), F(000)=632, mu=0.213 mm(-1), the final R=0.0409 and wR=0.1061 for 2577 observed reflections [I > 2 sigma(I)]. The absolute structure can be determined well with the Flack parameter 0.00(9). The crystal structure and CD spectrum show that an enantiomer of the compound packs into the chiral crystal.

引用

页码：903 / 906

页数：4