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N-[2,6-dichlorophenyl]-2,2,2-trichloroacetamide (2,6-Cl 2 C 6 H 3 NHCOCCl 3 ) shows a bleaching out of certain  35 Cl-NQR frequencies at a temperature of 159 K. The  35 Cl-NQR spin lattice relaxation time ( T  1 ) was determined as function of temperature. The data of the trichloromethyl resonances lead to an activation energy of 23.7 kJ/mole for the bleaching out process. The chlorine atoms bonded to the phenyl ring show a normal temperature dependence of  T  1 . In addition crystal structure determinations were made at three temperatures using neutron diffraction (117 K, 195 K, 373 K). The space group of the compound is  P 2 1 / c  =  C [unk] h  with four molecules per unit cell. The cell parameters are  a  = 1007(1) pm,  b  = 1168(1) pm,  c  = 1002(1) pm,  β  = 101.79(7)° (117 K),  a  = 1017(3) pm,  b  = 1194(3) pm,  c  = 1007(3) pm,  β  = 101.9(2)° (295 K),  a  = 1018.5(9) pm,  b  = 1208(1) pm,  c  = 1009(1) pm,  β  = 101.63(8)° (373 K). The molecules form intermolecular hydrogen bonds of the N–H…O–C type along [001]. An anharmonic behaviour of two of the trichloromethyl chlorine atoms was observed and studied as a function of temperature. The intramolecular distances and angles show no significant temperature variations.

Neutron diffraction and 35 Cl-NQR- T 1 measurements of N-[2,6-dichlorophenyl]-2,2,2-trichloroacetamide, 2,6-Cl 2 C 6 H 3 NHCOCCl 3 1