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Three new oxo-centered trinuclear complexes, one of them a mixed-valence complex [Mn3O(C7H4O2Cl)6(Py)3]Py (1) and the others, mixed-metal complexes of [Fe2MnO(C7H4O2Cl)6(Py)3]NO3 (2) and [Fe2CoO(C7H4O2Cl)6(Py)3] (3) were synthesized by the direct reaction between metal nitrates and p-chlorobenzoic acid. These complexes were characterized by elemental analyses (CHN), atomic absorption spectroscopy and spectral (IR, electronic) studies. These are new type of oxo-bridged mixed-metal complexes in which the carboxylate ligand is p-chlorobenzoic acid. The UV spectra of the complexes exhibited a strong band in the region 42,500 cm-1 which is related to the (π → π*) transitions of the pyridine ligand. The IR spectra of these compounds showed two strong stretching vibrations bands, indicating a bridging coordination mode of the carboxylic group of the ligand in the complexes.

Two new heterotrinuclear p-chlorobenzoates, [Fe2CrO(C7H4O2Cl)6(py)3]NO3 (1) and [Cr2FeO(C7H4O2Cl)6(py)3]NO3 (2) were prepared as nitrate salts and characterized by elemental analyses (CHN), spectroscopic (infrared, electronic) studies and atomic absorption spectroscopy. These complexes are a new type of oxo-bridged mixed-metal complex in which the carboxylate ligand is p-chlorobenzoic acid. Bridging coordination modes for the carboxylates were indicated by the presence of nasym (M2M’O) vibrations in the infrared spectra.

In the salt, C7H16N+·C16H28F3N3O2P−, the P atom shows tetrahedral coordination. Two ion pairs are linked by N—H...O hydrogen bonds across a center of inversion. The phosphoryl and carbonyl groups are staggered [O—P—N—C = 64.8 (3)°].

Abstract   S-allyl-β-N-[(2-hydroxyphenyl)methylene]hyrazinecarbodithioate) (1, H2L), the Schiff base of dithiocarbazate with unsaturated allyl substitution, can act as a new tridentate SNO ligand H2–L and react with cobalt(II) nitrate hexahydrate to form the novel linear trinuclear isovalence Co(II) complex, [Co3(H–L)2(L)2] 2C2H5OH (2). The compounds were characterized by elemental analysis, infrared, and ultraviolet spectroscopy. Compound 2 was also characterized by single-crystal X-ray analysis and crystallizes in the orthorhombic space group, Pbcn, with a = 30.643(1) Å, b = 9.118(4) Å, c = 19.017(7) Å, α = β = γ = 90°, V = 5312.95 Å3, Z = 4, and R 1 = 0.0790, (wR 2) = 0.1223. The six-coordinate central Co(II) atom is bonded to two deprotonated metal-containing ligands. The terminal Co(II) atoms are in a square planar SNON four-coordinate environment and connected to the central Co(II) by N-atoms from the ligand backbone. For quantifying the intermolecular interactions in crystal lattice, the new d norm surface and the breakdown of fingerprint plots have been used for visualizing and exploring the compound 2. [ABSTRACT FROM AUTHOR]

The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been determined. The title compound crystallized in the orthorhombic space group pbca with cell parameters, a = 10.6556(6) Å, b = 18.0132(11) Å, c = 19.5513(12) Å, v = 3752.7(4) Å3, Z = 8, D cal = 1.269 Mg/m3 at T = 120 K. The structure refined by full-matrix least-squares procedures to find R 1 = 0.0463 and wR 2 = 0.0937 for 3059 reflections. The soxazole ring isn’t coplanar with the phenyl ring. Index Abstract  The crystal structure of N-(tert-butyl)-1-(3,5-dioxo-2-phenyltetrahydro-4-isoxazolyl)-cyclohexane-carboxamide 1 has been studied. [ABSTRACT FROM AUTHOR]