VIROVETS, PODBEREZSKAYA, LAVRENOVA AND BIKZHANOVA 1087 Sinditskii, V. P., Sokol, V. I., Vogelzang, A. E., Dutov, M. D., Serushkin, V. V., Porai-Koshits, M. A. & Svetlov, B. S. (1987). Zh. Neorg. Khim. 32, 1950-1955. Syntex (1973). XTL Structure Determination System. Syntex Analyti- cal Instruments, Cupertino, California, USA. Vreugdenhil, W., Haasnoot, J. G. & Reedijk, J. (1990). Inorg. Chim. Acta, 167, 109-113. molecule coordinates at the axial position. The three lat- tice water molecules and the [Cu(L)(H20)] complex unit are involved in an extended network of hydrogen bonds, which is responsible for the weak antiferromagnetic in- teraction observed for the compound. In this paper, we describe the preparation and present the X-ray results for the monohydrated complex, [Cu(L)(H20)].H20, (I). Acta Cryst. (1995). C51, 1087-1089 Aqua[1,3-propanediyldiiminobis(1,3- dimethyl-5-nitrosouracilato)-x 4Ns,N6,- N lS,N 16]copper(ii) Monohydrate RAIKKOKIVEKXS AND MARrn KLINGA Inorganic Chemistry Laboratory, Box 55, FIN-00014, University of Helsinki, Finland ENRIQUE COLACIO AND JOSE M . DOMINGUEZ-VERA Departamento de Quimica Inorganica, Facultad de Ciencias, Universidad de Granada, 18071 Granada, Spain ANTONIOROMEROSA Departamento de Quimica Inorganica, Facultad de Ciencias Experimentales, Universidad de Almeria, 04071 Almeria, Spain (Received 14 June 1994; accepted 25 November 1994) Abstract The versatile C15H20N806 ligand is coordinated through four of its N atoms to the Cu[I atom in a double- deprotonated tetradentate fashion to give the ti- tle complex, aqua[1,3-propanediyldiimino-~2N-bis(1,3 - dimethyl - 5 - nitroso - 2,4 ( 1H, 3H) - pyrimidinedionato - ~2NS,N6)(2-)]copper(II) monohydrate, [Cu(C15H18N8- O6)(H20)].H20. A water molecule occupies the axial position of the distorted square-pyramidal coordination environment of the Cu atom. Comment In a previous report we showed that a,w-bis(1,3- dimethyl-5-nitrosouracil-6-ylamino)propane (H2L), a dioxime pyrimidine ligand, reacts with copper(H) in basic medium giving the mononuclear complex [Cu(L)(H20)].3H20 (Colacio, Dominguez-Vera, Escuer, Kivek~is & Romerosa, 1994). In this compound, the Cu n atom occupies the N4 inner site of the ligand and a water © 1995 International Union of Crystallography Printed in Great Britain - all rights reserved H20 O O O O . I[ ~I I ~I II N N N / JXN/~N/ & N/~N'J'~ O (I) .H20 The H2L ligand is coordinated through four of its N atoms to the CutI atom in a double-deprotonated tetradentate fashion (L2-), the deprotonated N atoms being N(6) and N(16). The complex unit of the present compound is essentially similar to that of [Cu(L)(H20)].3H20 (Colacio, Dominguez-Vera, Escuer, Kivek/is & Romerosa, 1994), the Cu atom occupy- ing the inner site of the tetradentate L 2- ligand. The complex unit is approximately coplanar and the six- membered ring [Cu, N(6), C(7), C(8), C(17), N(16)] has a boat conformation. The C---O distances are typi- cal for 0=43 bonds. Moreover, the distances and angles in the CNO groups are approximately similar in both compounds and the values agree quite well with those reported for oximato complexes (Korvenranta, Saarinen & N~is~ikk~il/i, 1982) and also with those observed for 6-amino-3-methyl-5-nitrosouracil complexes (Romero, Moreno, Ruiz, Sanchez & Nieto, 1986). The coordination of the Cu n atoms in the title com- pound and in [Cu(L)(H20)].3H20 is quite similar, the polyhedra being distorted square-based pyramids. How- ever, there are also some significant differences between the two coordination spheres. The basal plane of the co- ordination sphere is more planar in the title compound than in [Cu(L)(H20)].3H20, the greatest deviation of an O4 O5 014 , 012 Fig. 1. ORTEPII (Johnson, 1976) plot of the title compound. Displacement ellipsoids are shown at the 50% probability level; H atoms are shown as spheres of arbitrary radii. Acta Crystallographica Section C ISSN 0108-2701 ©1995