Synthesis and Crystal Structure of (R)-Thiazolidine-2-thione-4-carb Acid

Abstract

Abstract: The title compound with [α]_D²⁰-87. 5°and yield 66% was prepared by the reaction of L-cysteine hydrochloride monohydrate and carbondisulfide in the presence of sodium hy-droxide and cupric sulfate hydrate. The crystal structure was determined by X-ray diffraction method. The crystal is orthorhombic system, space group Pz₁z₁z₁, a=0.5029(2) nm, b=0. 7749(5) nm, c=1. 6300(5) nm, V=0. 6350(5) nm³, z=4. The electronic structure of the title compound was studied by molecular orbital PM3 method- The nature of the near frontier orbital and distribution of the calculated net charges and bond orders were obtained.The active site was described.

Key words: (R)-Thiazolidine-2-thione-4-carb acid, Crystal structure, Electronic structure, Frontier orbital

TrendMD:

LI Ye-Zhi, GUO Chun-Xiao, HU Xue-Shan, HUANG Hua-Min. Synthesis and Crystal Structure of (R)-Thiazolidine-2-thione-4-carb Acid[J]. Chem. J. Chinese Universities, 1997, 18(6): 898.

[1]	LIU Qingqing, WANG Pu, WANG Yongshuai, ZHAO Man, DONG Huanli. Synthesis and Topochemical Polymerization Study of Naphthalene/perylene Imides Substituted Diacetylene Derivatives [J]. Chem. J. Chinese Universities, 2022, 43(6): 20220091.
[2]	SHI Naike, ZHANG Ya, SANSON Andrea, WANG Lei, CHEN Jun. Uniaxial Negative Thermal Expansion and Mechanism in Zn（NCN） [J]. Chem. J. Chinese Universities, 2022, 43(6): 20220124.
[3]	XIA Tian, WAN Jiawei, YU Ranbo. Progress of the Structure-property Correlation of Heteroatomic Coordination Structured Carbon-based Single-atom Electrocatalysts [J]. Chem. J. Chinese Universities, 2022, 43(5): 20220162.
[4]	WANG Zumin, MENG Cheng, YU Ranbo. Doping Regulation in Transition Metal Phosphides for Hydrogen Evolution Catalysts [J]. Chem. J. Chinese Universities, 2022, 43(11): 20220544.
[5]	ZHUO Zengqing, PAN Feng. Progress of Key Electronic States in Lithium Ion Battery Materials Probed Through Soft X-ray Spectroscopy [J]. Chem. J. Chinese Universities, 2021, 42(8): 2332.
[6]	YUE Shengli, WU Guangbao, LI Xing, LI Kang, HUANG Gaosheng, TANG Yi, ZHOU Huiqiong. Research Progress of Quasi-two-dimensional Perovskite Solar Cells [J]. Chem. J. Chinese Universities, 2021, 42(6): 1648.
[7]	SHI Haihan,WU Xiangping,PENG Xinzhe,YU Guojing,DONG Chaoyang,JI Yaoyao,YANG Siwen,CHEN Junlin,WANG Jin,RAN Xueqin,YANG Lei,XIE Linghai,HUANG Wei. An Effective Method of Reducing the Internal Reorganization Energy Based on Windmill-like Grid Composed of Four Carbazoles^† [J]. Chem. J. Chinese Universities, 2020, 41(7): 1670.
[8]	TIAN Xia,YANG Fuqun,YUAN Wei,ZHAO Lei,YAO Lei,ZHEN Xiaoli,HAN Jianrong,LIU Shouxin. Synthesis, Structure and Recognition Properties of Macrocyclic Crown Ethers with Oxadiazole ^† [J]. Chem. J. Chinese Universities, 2020, 41(3): 490.
[9]	LIU Dongmei,SU Yajing,LI Shanshan,XU Qiwei,LI Xia. Transition Metal Coordination Polymers Constructed by 4-(4-Carboxyphenoxy)isophthalic Acid: Synthesis, Crystal Structure, Fluorescence Sensing and Photocatalysis ^† [J]. Chem. J. Chinese Universities, 2020, 41(2): 253.
[10]	QIN Liulei,LIU Yang,GUAN Xiaoqin,ZHENG Xiaoyuan,ZHANG Ziyu,LIU Zunqi. Synthesis and Switchable Dielectric Properties of an Inorganic-organic Hybrid Complex [H₂(DABCO)CuCl₄]·H₂O ^† [J]. Chem. J. Chinese Universities, 2020, 41(1): 70.
[11]	SUN Guodong,WANG Xue,JIANG Guoliang,XU Zhiyong,LIU Hongmei. Effects of Gas Adsorption on Two Dimensional Metal-hexaiminobenzene Frameworks^† [J]. Chem. J. Chinese Universities, 2019, 40(5): 995.
[12]	LI Bing,WANG Xuemin,BAI Fengying,LIU Shuqing. Synthesises, Structures and Antibacterial Activities of a Series of Rare Earth Nitrogen Heterocyclic Complexes^† [J]. Chem. J. Chinese Universities, 2019, 40(4): 632.
[13]	ZHOU Hegen,JIN Hua,GUO Huirui,LIN Jing,ZHANG Yongfan. Electronic Structures and Optical Properties of Cu-based Semiconductors with Chalcopyrite-type Structure^† [J]. Chem. J. Chinese Universities, 2019, 40(3): 518.
[14]	ZHANG Zhaoyan,CHEN Hongshan. Theoretical Studies on the Zintl Crystals Assembled by Al₆ONa₂ Clusters ^† [J]. Chem. J. Chinese Universities, 2019, 40(11): 2354.
[15]	WANG Dongmei,LIU Zihua,LI Guanghua,LIU Yunling,LI Chunxia. Synthesis, Structure and Fluorescent Property of Indium-based Bimetallic Metal-organic Frameworks^† [J]. Chem. J. Chinese Universities, 2018, 39(9): 1886.

Synthesis and Crystal Structure of (R)-Thiazolidine-2-thione-4-carb Acid

PDF (PC)

Knowledge

Abstract

Cite this article

share this article

References

Related Articles 15

Recommended Articles

Metrics

Comments