Crystal structure of 1,4-bis(2-hydroxybenzyl)piperazin-2-one, C18H20N2O3

Fengyang Yu, Jian Chen
2011 Zeitschrift für Kristallographie - New Crystal Structures  
Source of material 2-((3-(2-Hydroxyphenylamino)propylamino)methyl)phenol (2.72 g, 0.01 mol) and 2-chloroacetic acid (1.23 g, 0.012 mol) were added to athree-necked flask with 50 ml H 2O. The acidity of the solution was adjusted to pH =12with 10 %NaOH solution. The mixture was heated to reflux for 2h.After cooling to room temperature, the mixture was slowly poured into 10 ml of an 1M HCl solution, yielding awhite precipitate. Colorless crystals were obtained by recrystallization from ethanol.
more » ... on from ethanol. Experimental details The hydrogen atoms bound to carbon atoms were constrained to an ideal geometry with d(C-H) =0 .93 Å (Csp 2 )a nd 0.99 Å (Csp 3 ), U iso (H) =1.2 U eq (Csp 2 )and 1.5 U eq (Csp 3 ). The O-bound hydrogen atoms were located in difference Fourier maps and then refined freely.
doi:10.1524/ncrs.2011.0082 fatcat:ycpbaqvnmjcs7arfaptjnvmewe