Crystal and molecular structure of 1-bromo-2,4-epidithio-1-nitro-4-phenylbutadiene

Abstract

The crystal structure of 1-bromo-2,4-epidithio-1-nitro-4-phenylbutadiene has been determined by three-dimensional counter methods. The crystals are monoclinic, space group P2₁/c with Z= 4 in a unit cell of dimensions a= 9·281(8), b= 12·457(9), c= 12·713(9)Å, and β= 132° 7′(8′). The structure has been refined to R 0·073 for 1677 non-zero reflections measured on an automatic diffractometer. The central eight atoms of the molecule are almost planar with one of the oxygen atoms of the nitro-group being held at a distance of 2·373(7)Å from S(2). The S(2)–S(4) distance is 2·074(3)Å.