One-pot synthesis, structure, theoretical study and vibrational spectroscopy of 5-amino-4-cyano-3H-1, 2-dithiole-3-thione

…, Y Lin, C Huang, Y Chen, F Zhang, J Chen

Index: Cao, Yanning; Zhang, Hanhui; Lin, Yiji; Huang, Changcang; Chen, Yiping; Zhang, Fengli; Chen, Jianshan Journal of Molecular Structure, 2008 , vol. 888, # 1-3 p. 354 - 359

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Abstract

A novel D3T derivative, 5-amino-4-cyano-3H-1, 2-dithiole-3-thione (compound 1) has been obtained in one-pot reaction. The crystal is orthorhombic, space group Pbca, with a= 10.3667 (4) Å, b= 10.8898 (4) Å, c= 11.4942 (5) Å, V= 1297.60 (9) Å3, and Z= 8. In the crystal, molecules are firstly self-assembled into a complex sheet parallel to the (001) plane containing centrosymmetric R24 (16) and R44 (24) rings, and then the interconnection of ...