The Crystal and Molecular Structure of 4‐Hydroxy‐4′‐nitro‐ biphenyl and its Potassium Salt

Abstract

AbstractThe crystal and molecular structures of the title compounds have been solved by single crystal X‐ray analysis. 4‐Hydroxy‐4′‐nitro‐biphenyl (NBO) crystallizes in the centrosymmetric, monoclinic space group P21/n with a = 6.036(4) Å, b = 12.392(3) Å, c = 13.346(8) Å, β = 96.46(3)° and 4 molecules in the unit cell. Its potassium salt (NBOK) similarly belongs to P21/a with a = 11.277(2) Å, b = 7.3606(6) Å, c = 14.383(3) Å, β = 107.804(7)° and also 4 molecules in the unit cell. The structure of NBO was refined by full matrix least‐squares calculation to R = 0.043 for 1105 observed reflections, the structure of NBOK to R = 0.041 for 2288 observed reflections, respectively.NBO and NBOK crystallize in layer‐like structures. The biphenyl molecules of NBO are arranged as corrugated ribbons in layers. The ionic and polar moiety of NBOK (potassium, oxygen, and crystal water) are separated by biphenyl units to form layers. The almost planar biphenyl units of NBOK are arranged in pairs and exhibit a short molecular distance of 3.08 Å within one pair.