Single Crystal X-Ray crystallographic study of 2, 2-Diiodo-1-phenylvinyl (methyl) sulfane

Abstract

The title compound, 2,2-diiodo-1-phenylvinyl(methyl)sulfane (C9H8I2S) crystallized in the monoclinic crystal system with space group P21/n having unit cell parameters: a = 8.6397(3), b = 13.1631(5), c = 20.8706(7) A, β = 97.617(3)o and Z = 8. A well-defined single crystal was chosen for data collection. X-ray intensity data of 7796 reflections (of which 4141were unique) were collected using CuKa radiation. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R- value of 0.0533 for 3441 observed reflections. There are two independent molecules per asymmetric unit. The experimental crystal F(000) value is 1472. The goodness of fit is 1.029. The phenyl ring is perfectly planar. Maximum shift to e.s.d ratio is 0.001. The crystal structure is stabilized by van der waals interactions.