In the title compound, [ZnI(2)(C(13)H(19)N(3)O)], the Zn(II) ion is five-coordinated in a distorted square-pyramidal geometry, in which the basal plane is defined by three N atoms from the Schiff base ligand and one iodide ion. A second iodide ligand, situated in the apical position, completes the coordination geometry. In the crystal structure, C-H⋯O hydrogen bonds link a pair of mol-ecules around an inversion centre into a dimer.
In the title compound, [Cd(NCS)(2)(C(11)H(17)N(3))](n), the Cd(II) atom is octa-hedrally coordinated by the N,N',N''-tridentate Schiff base ligand and one terminal thio-cyanate N atom. Two trans-N:S-bridging thio-cyanates complete the N(5)S donor set around the Cd atom. In the crystal, adjacent Cd(II) ions are linked by the thio-cyanate N:S-bridges into polymeric chains along the c axis.
The asymmetric unit of the title compound, [Cu(NCS)(2)(C(11)H(17)N(3))], consists of two crystallographically independent mol-ecules. In each mol-ecule, the Cu(II) ion is five-coordinated in a distorted square-pyramidal geometry wherein the basal plane is defined by the N,N',N"-tridentate Schiff base and one N-bound thio-cyanate ligand. The second N-donor thio-cyanate group, located at the apical site, completes the coordination environment. In the crystal, inter-molecular C-H⋯S and C-H⋯N hydrogen bonds link adjacent mol-ecules into infinite layers parallel to the ac plane. Intra-molecular C-H⋯N inter-actions are also observed.
In the centrosymmetric dinuclear copper(II) title complex, [Cu(2)Br(2)(C(12)H(17)N(2)O)(2)]·H(2)O, each Cu(II) ion is five coordinated in a square-pyramidal geometry by the N,N',O-tridentate Schiff base, one Br atom and the bridging O atom of the centrosymmetrically related Schiff base. In the crystal, the water mol-ecules link the complex mol-ecules into infinite chains along the b axis via O-H⋯Br and C-H⋯O hydrogen bonds.
In the trinuclear title compound, [Zn(3)Cl(6)(C(13)H(20)N(4))(2)]·2H(2)O, each terminal Zn(II) atom is coordinated by an N(3) donor set from the Schiff base ligands and two Cl atoms in a distorted square-pyramidal geometry. The central Zn(II) atom is tetra-hedrally coordinated by two piperazine N atoms from two Schiff base ligands and two Cl atoms. The piperazine rings adopt chair conformations. In the crystal structure, adjacent complex mol-ecules are linked into a three-dimensional network via N-H⋯O, C-H⋯Cl and C-H⋯O hydrogen bonds. The structure includes two water mol-ecules, one of which is disordered over two positions with occupancies of 0.753 (15) and 0.247 (15).
The asymmetric unit of the title compound, [ZnCl(2)(C(11)H(17)N(3))], contains two independent penta-coordinate Zn(II) complex mol-ecules. In each mol-ecule, the metal atom is coordinated by an N,N',N''-tridenate Schiff base and two Cl atoms in a distorted square-pyramidal geometry. The two mol-ecules differ little in their geometry, but more in their inter-molecular inter-actions. In the crystal, adjacent mol-ecules are connected via C-H⋯Cl inter-actions into a three-dimensional supra-molecular structure. The network is supplemented by π-π inter-actions formed between the aromatic rings of pairs of the symmetry-related mol-ecules [centroid-centroid distances = 3.6255 (10) and 3.7073 (10) Å]. The crystal lattice contains void spaces with a size of 52 Å(3).
In the title compound, [CuCl(2)(C(13)H(19)N(3)O)]·H(2)O, the tridentate Schiff base ligand and the two Cl atoms complete a distorted square-pyramidal coordination geometry around the Cu(II) ion in which the three N atoms and one Cl atom are located in the basal plane and the other Cl atom is at the apical position. In the crystal, O-H⋯Cl hydrogen bonds link the complex mol-ecules and the uncoordinated water mol-ecules into infinite chains along the a axis. The chains are further connected into a three-dimensional network via C-H⋯O and C-H⋯Cl inter-actions.
In the title compound, [CdCl(2)(C(6)H(14)N(2)O)(2)], the Cl and Cd(II) atoms are located on a twofold rotation axis and the Cd(II) atom is octa-hedrally coordinated by two N,N'-bidentate 2-(morpholin-4-yl)ethanamine ligands and two trans-located Cl atoms. In the crystal, adjacent mol-ecules are linked by N-H⋯Cl and C-H⋯O hydrogen bonds into a three-dimensional structure. An intra-molecular C-H⋯Cl hydrogen bond is also observed.
In the title compound, [CdCl(2)(C(11)H(17)N(3))], the Schiff base acts as an N,N',N''-tridentate ligand towards the Cd(II) ion. Two Cl atoms complete a distorted square-pyramidal geometry around the metal atom. In the crystal, a C-H⋯Cl inter-action connects pairs of mol-ecules into centrosymetric dimers.
The Cd(II) ion in the title compound, [CdBr(2)(C(13)H(19)N(3)O)], is five-coordinated by the N,N',N''-tridentate Schiff base ligand and two Br atoms in a distorted square-pyramidal geometry. In the crystal, inter-molecular C-H⋯O and C-H⋯Br hydrogen bonds link adjacent mol-ecules into layers parallel to the ab plane. An intra-molecular C-H⋯Br inter-action is also observed.
In the title compound, [Cu(C(21)H(22)N(2)O(2))], the cyclo-hexyl ring adopts a chair conformation with the two imine groups linked at equatorial positions. The Cu(II) ion is coordinated by two N atoms and two O atoms from the bis-Schiff base ligand in a slightly distorted square-planar geometry. The dihedral angle between the two benzene rings is 45.89 (9)°. The crystal structure is devoid of any classical hydrogen bonds. However, inter-molecular C-H⋯O inter-actions are present and stabilize the structure.
In the title compound, [Mn(NCS)(2)(C(13)H(19)N(3)O)(H(2)O)], the Schiff base acts as an N,N',N"-tridentate ligand, forming two five-membered chelating rings with the Mn(II) atom. The distorted octa-hedral geometry around the metal atom is completed by two cis-positioned N-bound thio-cyanate ligands and one water mol-ecule. In the crystal, adjacent mol-ecules are linked through O-H⋯O, O-H⋯S and C-H⋯S hydrogen bonds into a three-dimensional supra-mol-ecular structure. An intra-molecular C-H⋯O hydrogen bond also occurs.
In the crystal structure of the title compound, C(4)H(7)N(4)O(+)·Cl(-)·2H(2)O, adjacent cations are connected to one another through N-H⋯O hydrogen bonds, forming infinite chains along the b axis. These chains are further hydrogen bonded to the chloride anions and water mol-ecules, resulting in a three-dimensional network. The pyrimidine rings of adjacent mol-ecules are arranged in an anti-parallel manner above each other with centroid-centroid distances of 3.435 (1) Å, indicative of π-π inter-actions.
The asymmetric unit of the title compound, [MnCl(2)(C(11)H(17)N(3))], contains two crystallographically independent mol-ecules with slightly different geometries. In each mol-ecule, the Mn(II) ion is five coordinated by the N,N',N''-tridentate Schiff base and two Cl atoms in a distorted square-pyramidal geometry. In the crystal, C-H⋯Cl hydrogen bonds link adjacent mol-ecules into a three-dimensional network.
The asymmetric unit of the title compound, [Zn(NCS)(2)(C(13)H(19)N(3)O)], contains two crystallographically independent mol-ecules. In each mol-ecule, the Zn(II) ion is five-coordinated by the N,N',N"-tridentate Schiff base and the N atoms of two thio-cyanate ligands in a distorted square-pyramidal geometry. The two mol-ecules differ mainly in the deviations from the ideal geometry, with τ values of 0.14 and 0.33. In the crystal, inter-molecular C-H⋯S hydrogen bonds are observed. An intra-molecular C-H⋯N hydrogen bond occurs in one of the independent mol-ecules.
The title compound, C(4)H(6)N(4)O·H(2)O, crystallized simultaneously as a triclinic and a monoclinic polymorph from an aqueous solution of 2,4-diaminopyrimidin-6-ol. Previously, an orthorhombic polymorph was isolated under the same experimental conditions. The molecular geometric parameters in the two present polymorphs and the previously reported orthorhombic polymorph are similar, but the structures differ in the details of their crystal packing. In the triclinic system, the diaminopyrimidinone molecules are connected to one another via N-H···O and N-H···N hydrogen bonding to form infinite chains in the [011] direction. The chains are further hydrogen bonded to the water molecules, resulting in a three-dimensional network. In the monoclinic system, the diaminopyrimidinone molecules are hydrogen bonded together into two-dimensional networks parallel to the bc plane. The water molecules link the planes to form a three-dimensional polymeric structure.
In the title compound, [CdCl(2)(C(13)H(19)N(3)O)], the Cd(II) ion is five-coordinate, with the N,N',N''-tridentate Schiff base ligand 2-morpholino-N-[1-(2-pyrid-yl)ethyl-idene]ethanamine and two Cl atoms in a distorted square-pyramidal geometry. In the crystal structure, C-H⋯Cl hydrogen-bonding inter-actions connect the mol-ecules into a three-dimensional network.
In the title compound, [Cu(NCS)(2)(C(13)H(19)N(3)O)], the Cu(II) ion is five-coordinated by the N,N',N''-tridentate Schiff base and the N atoms of two isothio-cyanate ligands in a square-pyramidal geometry. In the crystal, C-H⋯N, C-H⋯O and C-H⋯S inter-actions link adjacent mol-ecules into layers parallel to the ac plane. A weak inter-molecular π-π inter-action occurs between the aromatic rings with a centroid-centroid distance of 3.9412 (9) Å.
In the title compound, [CuCl(C(14)H(19)N(2)O(2))], the Cu(II) ion is four-coordinated by one deprotonated N,N',O-tridentate Schiff base and one chloride ion in a distorted square-planar geometry. In the crystal, adjacent mol-ecules are linked via C-H⋯Cl and C-H⋯O inter-actions, forming infinite layers parallel to the (100) plane. The structure was determined from a non-merohedrally twined crystal [twin ratio 0.777 (3):0.223 (3)].
In the title compound, [ZnCl(2)(C(13)H(19)N(3)O)], the Schiff base ligand acts as an N,N',N''-tridentate chelating agent, making two five-membered rings with the Zn(II) ion. The metal atom is five-coordinated by the Schiff base ligand and two Cl atoms in a distorted square-pyramidal geometry. An intra-molecular C-H⋯Cl inter-action occurs. In the crystal, adjacent mol-ecules are linked together via C-H⋯Cl hydrogen-bonding and long range C-H⋯O and C-H⋯Cl inter-actions into a three-dimensional network.