Structure of a 3-aminothiathiophthen : X-ray analysis of 3-amino-2-methylthio-5-phenyl-6a-thiathiophthen {3-amino-2-methylthio-5-phenyl [1,2]dithiolo[1,5-b][1,2]dithiole-7-SIV}

Abstract

The molecular structure of the title compound (II) has been determined by single-crystal X-ray diffraction methods. Crystals are monoclinic, with a= 14.103(3). b= 8.313(4), c= 11.353(7)Å, and β= 102° 10′(2′), Z= 4, space group P2₁/c. The structure was solved by a combination of the symbolic-addition, and Patterson and Fourier methods and refined to R 0.090 on 1 696 non-zero reflections measured by diffractometer. The molecule is almost planar with the S(1)–S(6a)–S(6) atoms nearly collinear: S(1)–S(6a) and S(6a)–S(6) are 2.375(4) and 2.266(4)Å. A comparison of these lengths with those found in 3-benzoyl-5-p-bromophenyl-2-methylthio6a-thiathiophthen (III) indicates that the conjugative effect of the 3-amino-group has caused a significant shortening of the S(1)–S(6a) length in (II) as compared to that in (III).