Microwave substitution structure of the amine group in Ortho-chloroaniline,C6H4CINH2

The microwave spectra of amine deuterated species of 2-³⁵Cl] and 2-³⁷-Cl]aniline, C₆H₄ClNH₂, have been observed. The rotators associated with the first two states of the amino group inversion have been assigned. A geometric structure has been calculated from the moments of inertia of all isotopic species in the ground state, indicating a small out-of-plane angle (34.5°), and a torsion around the CN bond of the NH₂ group. This deformation is explained by the formation of a hydrogen bond NH … Cl.