Crystal and Molecular Structure of 3,5,6-Trichloro-2-Pyridinol Complexes

Abstract The complex (A), 3,5,6-trichloro-2-pyridinol-piperazine, C9H12N3OCl3, crystallizes in the monoclinic space group P21/n with the parameters a=8.915(4) A, b=7.062(3) Å, c=19.039(5) Å, β=102.79(3)°, V=1168.9(8) Å3, Z=4. The structure was solved by direct methods using SHELXS-86 (Sheldrick, 1990) and refined using SHELXL-93 (Sheldrick, 1993). The final residual factor is R1=0.0662 for 1273 reflections with I > 2[sgrave](I). The structure has intermolecular hydrogen bonds. The molecules which are stacked in layers are interconnected through the hydrogen bonds. The complex B, 3,5,6-trichloro-2-pyridinol-piperdine, C10H13N2OCl3, crystallizes in the monoclinic space group P21/c with the parameters a=12.514(4) Å, b=22.464(2) Å, c=13.765(3) Å, β=98.02(2)°, V=3831.9(2) Å3, Z=12. The structure was solved by direct methods using SHELXS-86 and refined using SHELXL-93. The final residual factor is R1=0.072 for 2662 reflections with I > 2[sgrave](I). The structure has both intra and intermolecular hydrogen bonds.