烯氨酮晶体结构研究

研究了氨基分别为1'-四氢吡咯,1'-六氢吡啶和4'-吗啉的1-苯基-3-氨基-2-丁烯-1-酮的晶体结构. 它们的构型.构象均为trans, S-cis.由于共轭体系的扩展,这些烯氨酮的氮原子都比相应的烯胺有程度更大的电子离域,其中又以扭式构象的四氢吡咯基的离域程度最高.四氢吡咯形成N-不饱和化合物的特殊活性与此有关.

Study of crystal structures of some enaminones

The crystal structures of 1-phenol-3-(1'-pyrrolidino)-2-buten-1-one (I), 1-phenyl-3-(1'-diperidino)-2-buten-1-one (II) and 1-phenyl-3-(4'-morpholino)-2-buten-1-one (III) were determine by x-ray diffractometry. The crystals are monoclinic; I has space group P21/c with a 10.183(2), b 10.361(2), c 11.261(2) ? and b 94.70(1)? Z = 4; R = 0.040; II has space group P21/a with a 10.828(2), b 10.811(3), c 11.180(2), and b 95.20(1); Z = 4; R = 0.069; and III has space group P21/a with a 10.781(2), b 10.603(1), c 10.891(4), and b 94.72(2); Z = 4; R = 0.066. The conformations and configurations are given. The atomic coordinates are given. The electron delocalization at the N atoms are discussed. The structures can be related to the reactivities of the compounds