Synthesis, crystal structure and Hirshfeld surface analysis of the tetra-kis complex NaNdPyr(-PrOH)·-PrOH with a carbacyl-amido-phosphate of the amide type.

The tetra-kis complex of neodymium(III), tetra-kis-{μ--[bis-(pyrrolidin-1-yl)phos-phor-yl]acet-am-id-ato}bis(pro-pan-2-ol)neodymiumsodium pro-pan-2-ol monosol-vate, [NaNd(CHClNO)(CHO)]·CHO or NaNdPyr(-PrOH)·-PrOH, with the amide type CAPh ligand bis(,-tetra-methylene)(tri-chloro-acetyl)phos-phoric acid tri-amide (HPyr), has been synthesized, crystallized and characterized by X-ray diffraction. The complex does not have the tetra-kis-(CAPh)lanthanide anion, which is typical for ester-type CAPh-based coordin-ation compounds. Instead, the NdO polyhedron is formed by one oxygen atom of a 2-propanol mol-ecule and seven oxygen atoms of CAPh ligands in the title compound.

Control of the spin state by charge and ligand substitution: two-step spin crossover behaviour in a novel neutral iron(II) complex.

The influence of the charge and steric hindrance on the spin state of a series of four monomeric Fe(II) complexes derived from the tridentate ligands 2-(1H-benzoimidazol-2-yl)-1,10-phenanthroline (Hphenbi) and 2-(1H-benzoimidazol-2-yl)-9-methyl-1,10-phenanthroline (Hmphenbi) and their deprotonated forms (phenbi(-), mphenbi(-)) are investigated. The crystal structure and magnetic properties show that [Fe(Hphenbi)2](BF4)2·1.5C6H5NO2·H2O (1) and its neutral form [Fe(phenbi)2](0)·2CHCl3·H2O (2) are low-spin complexes at 400 K due to the strong ligand field imparted by the terpyridine-like ligand.

{Dimeth-yl [(phenyl-sulfon-yl)amido-]phosphato-κ(2) O,O'}bis-(tri-phenylphosphane-κP)copper(I).

In the title complex, [Cu(C8H11NO5PS)(C18H15P)2], the Cu(I) ion is coordinated by two tri-phenyl-phosphane mol-ecules and two O atoms of the chelating dimeth-yl(phenyl-sulfon-yl)amido-phosphate anion, generating a squashed CuO2P2 tetrahedron. In the six-membered chelate ring, the Cu, P and O atoms are almost coplanar (r.m.

[Di-aqua-sesqui(nitrato-κO)hemi(perchlorato-κO)copper(II)]-μ-{bis-[5-methyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl] selenide}-[tri-aqua-(perchlorato-κO)copper(II)] nitrate monohydrate.

In the binuclear title complex, [Cu2(ClO4)1.5(NO3)1.5(C18H16N6Se)(H2O)5]NO3·H2O, both Cu(II) ions are hexa-coordinated by O and N atoms, thus forming axially elongated CuO4N2 octa-hedra.

Bis{4-[(3,5-dimethyl-1H-pyrazol-4-yl)selan-yl]-3,5-dimethyl-1H-pyrazol-2-ium} chloride monohydrate.

In the title compound, 2C(10)H(15)N(4)Se(+)·Cl(-)·OH(-), a singly protonated mol-ecule of the organic selenide participates in hydrogen bonding with neighboring mol-ecules, forming zigzag chains along [001]. The molecule adapts a cis bridging mode with a C-Se-C angle of 102.13 (15)°.

4-Chloro-selanyl-3,5-diethyl-1H-pyrazol-2-ium chloride.

In the cation of the title compound, C(7)H(12)ClN(2)Se(+)·Cl(-), the ethyl-ene groups and the Se-Cl fragment adopt a cis configuration with a C-Se-Cl angle of 96.09 (6)°. In the crystal, inter-molecular N-H⋯Cl hydrogen bonds link two cations and two chlorine anions into centrosymmetric clusters.

(Tris{2-[(5-hy-droxy-pyridin-2-yl-κN)methyl-idene-imino-κN]eth-yl}amine)-zinc dinitrate.

In the complex cation of the title compound, [Zn(C(24)H(27)N(7)O(3))](NO(3))(2), the tripodal tris-{[2-(5-hy-droxy-pyridin-2-yl)methyl-idene-imino]-eth-yl}amine ligand is coordin-ated to the Zn atom through the three pyridine and three imino N atoms. The coordination sphere of the Zn atom is based on an octahedron with a significant distortion towards trigonal prismatic, the twist angle being 45.58 (9)°.

Tris{N-[bis(pyrrolidin-1-yl)phosphoryl]-2,2,2-trichloroacetamide}trichlorido-erbium(III).

The asymmetric unit of the title compound, [ErCl(3)(C(10)H(17)Cl(3)N(3)O(2)P)(3)], contains two independent mol-ecules. In each mol-ecule, the Er(III) ion is six-coordinated in a slightly distorted octa-hedral ErO(3)Cl(3) geometry with a fac-arrangement of the donor atoms. Intra-molecular N-H⋯Cl hydrogen bonds influence the mol-ecular conformations.

catena-Poly[[[aqua-copper(II)]-bis-[μ-bis-(3,5-dimethyl-1H-pyrazol-4-yl) selenide-κN:N]] dichloride monohydrate].

In the title compound, {[Cu(C(10)H(14)N(4)Se)(2)(H(2)O)]Cl(2)·H(2)O}(n), the Cu(II) ion, lying on a twofold rotation axis, has a square-pyramidal geometry constituted by four N atoms of pyrazolyl groups in the basal plane and an apical O atom of a water mol-ecule. A pair of bis-(3,5-dimethyl-1H-pyrazol-4-yl) selenide ligands bridge the Cu centers into a polymeric double-chain extending along [001]. The chloride anions are involved in inter-molecular N-H⋯Cl and O-H⋯Cl hydrogen bonds, which link the chains into a three-dimensional network.

Bis{N-[bis-(pyrrolidin-1-yl)phosphor-yl]-2,2,2-trichloro-acetamide}di-nitrato-dioxidouranium(VI).

The crystal structure of the title compound, [U(NO(3))(2)O(2)(C(10)H(17)Cl(3)N(3)O(2)P)(2)], is composed of centrosymmetric [UO(2)(L)(2)(NO(3))(2)] mol-ecules {L is N-[bis-(pyrrolidin-1-yl)phosphor-yl]-2,2,2-trichloro-acetamide, C(10)H(17)Cl(3)N(3)O(2)P}. The U(VI) ion, located on an inversion center, is eight-coordinated with axial oxido ligands and six equatorial oxygen atoms of the phosphoryl and nitrate groups in a slightly distorted hexa-gonal-bipyramidal geometry. One of the pyrrolidine fragments in the ligand is disordered over two conformation (occupancy ratio 0.

Bis(N-{bis-[meth-yl(phen-yl)amino]phos-phor-yl}-2,2,2-trichloro-acetamide)di-nitrato-dioxidouranium(VI).

In the title compound, [UO(2)L(2)(NO(3))(2)] {L = N-{bis-[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide, C(16)H(17)Cl(3)N(3)O(2)P}, the U(VI) ions are eight-coordinated by axial oxido ligands and six equatorial O atoms from the phosphoryl and nitrate groups in a distorted hexa-gonal-bipyramidal geometry. There are disordered fragments in the two coordinating L ligands: the trichloro-methyl group is rotationally disordered between two orientations [occupancy ratio 0.567 (15):0.

Bis{2-hydroxy-imino-N'-[1-(2-pyrid-yl)ethyl-idene]propanohydrazidato}zinc(II) dihydrate.

The title compound, [Zn(C(10)H(11)N(4)O(2))(2)]·2H(2)O, was prepared by the reaction between Zn(CH(3)COO)(2)·2H(2)O and 2-hydroxy-imino-N'-[1-(2-pyrid-yl)ethyl-idene]propano-hydrazide (Hpop). The central Zn(II) atom has a distorted tetra-gonal-bipyramidal coordination geometry formed by two amide O atoms and four N atoms of two azomethine and two pyridine groups. In the crystal, complex mol-ecules form layers parallel to the crystallographic b direction.

N-[Bis(dimethyl-amino)phosphinoyl]-2,2,2-trichloro-acetamide.

In the title compound, C(6)H(13)Cl(3)N(3)O(2)P or CCl(3)C(O)NHP(O)(N(CH(3))(2)), the phosphinoyl group is synclinal to the carbonyl group and acts as an acceptor for an inter-molecular N-H⋯O hydrogen bond from the amide group as the donor.

catena-Poly[[[aqua-copper(II)]bis-[μ-bis(3,5-dimethyl-1H-pyrazol-4-yl) selenide]] bis-(tetra-fluorido-borate) bis-(triphenyl-phosphine oxide) monohydrate].

The title compound, {[Cu(C(10)H(14)N(4)Se)(2)(H(2)O)](BF(4))(2)·2C(18)H(15)PO·H(2)O}(n), has a polymeric structure where each Cu(II) ion adopts a square-pyramidal coordination constituted by four N atoms of pyrazole moieties in the equatorial plane and an axial O atom of a water mol-ecule. A pair of bis-(3,5-dimethyl-1H-pyrazol-4-yl) selenide ligands bridges the Cu(II) centres into a chain extending along the c axis. The water mol-ecules, anions and triphenyl-phosphine oxide mol-ecules are involved in inter-molecular hydrogen bonding, which links the chains into a three-dimensional network.

N-{Bis[meth-yl(phen-yl)amino]phosphor-yl}-2,2,2-trichloro-acetamide.

In the asymmetric unit of the crystal structure of the title compound, C(16)H(17)Cl(3)N(3)O(2)P, there are two crystallograph-ically independent mol-ecules, which form dimers via N-H⋯O hydrogen bonding between the N-H group and the P=O group. In the mol-ecular structure, the phosphoryl group is anti to the carbonyl group. The two benzene rings are oriented at dihedral angles of 54.