Conformational preference of chlorothioformate species: molecular structure of ethyl chlorothioformate, ClC(O)SCH₂CH₃, in the solid phase and NBO analysis

The molecular and crystal structure of crystalline ClC(O)SCH₂CH₃ was obtained by low-temperature X-ray diffraction. A joint analysis of experimental and theoretical data based on AIM theory and NBO population analysis was performed.