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| 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 | |
| 引用本文： | 王雨嘉,骆耿耿,俞芸,林丽榕,章慧,黄荣彬,郑兰荪.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[J].有机化学,2008,28(5):903-906. |
| 作者姓名： | 王雨嘉 骆耿耿 俞芸 林丽榕 章慧 黄荣彬 郑兰荪 |
| 作者单位： | 1. 厦门大学化学系,厦门,361005 2. 龙岩学院化学与材料工程系,龙岩,364000 3. 厦门大学化学系,厦门361005;厦门大学固体表面物理化学国家重点实验室,厦门361005 |
| 基金项目： | 国家基础科学人才培养基金，厦们大学科技创新工程基金 |
| 摘 要： | 对-二甲氨基苯甲醛和苯基氨基硫脲缩合反应生成1-4-(二甲氨基)苯亚甲基氨基]-4-苯基硫脲(DMB), 产物能从溶液中析出单一手性对映体晶体. 用单晶X射线衍射技术测定了它的绝对构型, 晶体属正交晶系, P212121空间群, a＝0.7870(2) nm, b＝1.1560(2) nm, 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, 2557个可观测点I＞2s(I)]精修的最终残差因子: R＝0.0409, wR＝0.1061, Flack参数为0.00(9), 能够确定绝对构型. 化合物的晶体结构和大宗粉末样品的固体圆二色谱表明化合物在结晶过程中发生单一对映体的手性堆积. |
| 关 键 词： | 1-[4-(二甲氨基)苯亚甲基氨基]-4-苯基硫脲 手性晶体结构 圆二色谱 |
| 收稿时间： | 2007-5-8 |
| 修稿时间： | 2007年5月9日 |
Another Chiral Crystal Structure of 1-[4-(Dimethylamino)-benzylidene]-4-phenylthiosemicarbazide |
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| WANG,Yu-Jia,LUO,Geng-Geng,YU,Yun,LIN,Li-Rong,ZHANG,Hui,HUANG,Rong-Bin,ZHENG,Lan-Sun.Another Chiral Crystal Structure of 1-[4-(Dimethylamino)-benzylidene]-4-phenylthiosemicarbazide[J].Chinese Journal of Organic Chemistry,2008,28(5):903-906. | |
| Authors: | WANG Yu-Jia LUO Geng-Geng YU Yun LIN Li-Rong ZHANG Hui HUANG Rong-Bin ZHENG Lan-Sun |
| Institution: | ( Department of Chemistry, Xiamen University, Xiamen 361005)( State Key Laboratory for Physical Chemistry of Solid Surface, Xiamen University, Xiamen 361005)(Department of Chemistry and Materials Engineering, Longyan College, Longyan 364000) |
| Abstract: | 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. |
| Keywords: | 1-[4-(dimethylamino)benzylidene]-4-phenylthiosemicarbazide chiral crystal structure circular dichroism spectr |
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