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Chin. J. Org. Chem. ›› 2008, Vol. 28 ›› Issue (05): 903-906. Previous Articles     Next Articles

Reports

1-[4-(二甲氨基)苯亚甲基氨基]-4-苯基硫脲的另一个手性对映体晶体结构

王雨嘉a，骆耿耿a，俞芸c，林丽榕a，章慧a
黄荣彬*,a，郑兰荪a,b   

  1. (a厦门大学化学系 厦门 361005)
    (b厦门大学固体表面物理化学国家重点实验室 厦门 361005)
    (c龙岩学院化学与材料工程系 龙岩 364000)
  • 收稿日期:2007-05-08 修回日期:2007-12-04 发布日期:2008-05-20
  • 通讯作者: 黄荣彬

Another Chiral Crystal Structure of 1-[4-(Dimethylamino)-benzylidene]-4-phenylthiosemicarbazide

WANG Yu-Jiaa,LUO Geng-Genga,YU Yunc,LIN Li-Ronga,ZHANG Huia
HUANG Rong-Bin*,a,ZHENG Lan-Suna,b   

  1. (a Department of Chemistry, Xiamen University, Xiamen 361005)
    (b State Key Laboratory for Physical Chemistry of Solid Surface, Xiamen University, Xiamen 361005)
    (c Department of Chemistry and Materials Engineering, Longyan College, Longyan 364000)
  • Received:2007-05-08 Revised:2007-12-04 Published:2008-05-20
  • Contact: HUANG Rong-Bin

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Another chiral crystal of 1-[4-(dimethylamino)benzylidene]-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 P212121 and a＝0.7870(2), b＝1.1560(2), c＝1.6668(3) nm, V＝1.5164(5) nm3, Z＝4, Dc＝1.307 g/cm3, F(000)＝632, μ＝0.213 mm－1, the final R＝0.0409 and wR＝0.1061 for 2577 observed reflections [I＞2σ(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.

Key words: chiral crystal structure, circular dichroism spectr, 1-[4-(dimethylamino)benzylidene]-4-phenylthiosemicarbazide