Crystallographic determination of the cis-configuration of syn-disodium 4-sulphonatobenzenediazotate

Abstract

The crystal structure of the title compound has been determined at –150 °C from diffractometer data by the heavy-atom method. The crystals were orthorhombic, space group Pna2₁, with unit cell dimensions a= 5.559(1), b= 11.699(4), c= 19.371(4)Å, α=β=γ= 90°, Z= 4 and R= 0.062 for 838 observed reflections. The syn-diazotate group was found to have a cis-configuration, making a dihedral angle of 69.1(13)° with the benzene ring. The bond lengths for C(4)–N(1), N(1)–N(2), and N(2)–O(4) are 1.455(15), 1.296(13), and 1.318(11)Å, respectively. The anions, cations, and water molecules are extensively linked in a three-dimensional network.