Crystal and molecular structure of [N,N-bis(2-carbamoylethyl)amino-2-propionato]isothicyanatocopper(II) monohydrate, [Cu(Bceala)(NCS)] center dot H2O

The X-ray crystal structure of [Cu(Bceala)(NCS)] . H2O, where HBceala is N, N-bis(2-carbamoylethyl)amino-2-propionic acid, is determined. The unit-cell parameters are a = 9.555(2), b = 10.815(2), and c = 14.877(3) Angstrom; Z = 4; and space group P2(1)2(1)2(1); R = 0.0363 for 1563 reflections with I > 2 sigma(I). A distorted tetragonal-pyramidal coordination of the Cu2+ ato m is formed by three O atoms and the N atom of the tetradentate chelate lig and Bceala(-) and the N atom of the NCS- anion. The structure of the comple x studied is compared with the structure of the copper(II) complex with N,N -bis(2-carbamoylethyl)aminoacetic acid, [Cu(Bcegly)(NCS)].