THE BOND N-CL - CRYSTAL-STRUCTURES AND CL-35 NQR OF N-CHLORO-N-PHENYL-2-CHLOROACETAMIDE, N-CHLORO-N-PHENYL-2,2-DICHLOROACETAMIDE, N-CHLORO-N-PHENYL-2,2,2-TRICHLOROACETAMIDE, AND N-PHENYL-2,2,2-TRICHLOROACETAMIDE

The crystal structures of C6H5NClCOCH2Cl (1), C6H5NClCOCHCl2 (2), C6H5 NClCOCCl3 (3), and C6H5NHCOCCl3 (4) have been determined at room tempe rature (lattice constants, d in pm). (1): P2(1)/c, Z = 4, a = 738, b = 645, c = 1891, beta = 90.41-degrees, d (N-Cl) = 171, d (C = O) = 121; (2): P2(1)/c, Z = 4, a = 820, b = 1495, c = 905, beta = 114.78-degree s, d (N-Cl) = 171, d (C = O) = 120; (3): P2(1)/c, Z = 4, a = 819, b = 1853, c = 718, beta = 103.64-degrees, d (N-Cl) = 172, d (C = O) = 120; (4): P2(1)/c, Z = 4, a = 551, b = 1704, c = 1035, beta = 93.08-degree s, d (C = O) = 121. For (2), (3), and (4) the Cl-35 NQR frequencies ha ve been determined in the range 77 less-than-or-equal-to T/K less-than -or-equal-to 300. At 77 K (nu in MHz): (2): nu(w, 1) = 37.600, nu(w, 2 ) = 38.188, nu(N) = 51.858; (3): nu(w, 1) = 39.944, nu(w, 2) = 40.512, nu(w, 3) = 40.739, nu(N) = 52.791; (4): nu(w, 1) = 39.428, nu(w, 2) = 39.452, nu(w, 3) = 39.986. For the compound C6H5NHCOCHCl2 (5) the Cl- 35 NQR measured at 77 K is: nu(w, 1) = 37.195 MHz, nu(w, 2) = 37.596 M Hz. The relation, nu(Cl-35) = d (N-Cl) is discussed.