Biomedical subjects
Publications and source records attributed to Juan Carlos Muñoz.
The title compound, C12H7NO3, consists of a chromone moiety substituted in position 3 with an acrylonitrile group in a Z configuration. The two planar groups are twisted with respect to one another. The only significant hydrogen bond in the structure is an intramolecular O-H...O bond. pi-pi contacts connecting aromatic groups and C-H...O intermolecular weak interactions lead to a supramolecular layer arrangement.
Two different zinc sulfite compounds have been prepared through the decomposition of pyrosulfite-dithionite ions in aqueous solution, viz. a dimeric complex, di-mu-sulfito-kappa3O,O':O'';kappa3O:O',O''-bis[(4,4'-dimethyl-2,2'-bipyridine-kappa2N,N')zinc(II)] dihydrate, [Zn2(SO3)2(C12H12N2)2].2H2O, (I), which was solved and refined from a twinned sample, and an extended polymer, poly[[aqua(1,10-phenanthroline-kappa2N,N')zinc(II)]-mu3-sulfito-kappa2O:O':O''-zinc(II)-mu3-sulfito-kappa3O:O:O'], [Zn2(SO3)2)(C12H10N2)(H2O)]n, (II). In (I), the dinuclear Zn(II) complex has a center of symmetry. The cation is five-coordinate in a square-pyramidal arrangement, the anion fulfilling a bridging chelating role. Compound (II) comprises two different zinc units, one being five-coordinate (square pyramidal) and the other four-coordinate (trigonal pyramidal), and two independent sulfite groups with different binding modes to the cationic centers.
The synthesis and crystal structures of three new yttrium crotonate (crot) compounds, associated with three different nitrogenous bases, namely 1,10-phenanthroline (phen), 4-methyl-1,10-phenanthroline (mphen) and 2,2'-bipyridylamine (bpa), are presented. All three compounds organize as centrosymmetric dimers, to give tetra-micro-crotonato-bis[crotonato(1,10-phenanthroline)yttrium(III)] dihydrate, [Y(2)(C(4)H(5)O(2))(6)(C(12)H(8)N(2))(2)].2H(2)O or [Y(crot)(3)(phen)](2).2H(2)O, (I), tetra-micro-crotonato-bis[crotonato(4-methyl-1,10-phenanthroline)yttrium(III)] dihydrate, [Y(2)(C(4)H(5)O(2))(6)(C(13)H(10)N(2))(2)].2H(2)O or [Y(crot)(3)(mphen)](2).2H(2)O, (II), and tetra-micro-crotonato-bis[diaqua(crotonato)yttrium(III)] 2,2'-bipyridylamine tetrasolvate, [Y(2)(C(4)H(5)O(2))(6)(H(2)O)(4)].4C(10)H(9)N(3) or [Y(crot)(3)(aq)(2)](2).4(bpa), (III). Complexes (I) and (II) are isomorphous, with the bases acting as chelating ligands. In complex (III), the coordination sphere is built up of carboxylate and aqua ligands, with the non-coordinated diimine acting as included solvent.
The structure of the title compound, [Ni(ths)(bbip)(dmf)].H(2)O [ths is thiosulfate, S(2)O(3); bbip is 2,6-bis(1H-benzimidazol-2-yl)pyridine, C(21)H(13)N(5); and dmf is dimethylformamide, C(3)H(7)NO], is monomeric, with the nickel ion octahedrally surrounded by an N,N',N"-tridentate bbip molecule, an S,O-bidentate ths molecule and an O-monodentate dmf molecule. The H atoms of the hydration water molecule and the amino groups of bbip are involved in hydrogen bonding and determine a spatial organization of broad layers parallel to (001), which are connected by weak interactions.
The structure of [Zn(C(19)H(12)N(5))(2)], which is monomeric and consists of neutral Zn(bbip-H)(2) entities [bbip-H is the anionic form of bis(benzimidazolyl)pyridine, formed by the loss of one H atom], has been solved from a racemic twin. The Zn atom lies at a site with imposed 222 symmetry and the bbip-H ligand has imposed twofold symmetry. The imidazolyl H atom is disordered over two symmetry-related positions, thus raising the molecular symmetry as required by the space group. The angle between the planes of the two coordinated bbip-H ligands is 84.6 (3) degrees, so defining a distorted octahedral environment around the metal atom.
The structures of the mono- and sesquihydrates of 2,6-bis(1H-benzimidazol-2-yl)pyridine (bbip) are reported. Phase (I), C(19)H(13)N(5).H(2)O, has one water and one bbip molecule in the asymmetric unit, while phase (II), C(19)H(13)N(5).1.5H(2)O, has three water molecules and two bbip molecules in the asymmetric unit. The compounds exhibit very similar molecular geometries but different packing organizations, which result from intricate hydrogen-bonding schemes.
The title compound, [Dy(2)(C(2)H(3)O(2))(6)(H(2)O)(4)].4H(2)O, crystallizes in the form of dimeric units related by an inversion centre. Each cation is nine-coordinate, binding to two water molecules and three acetate groups, two of which are bidentate and the third tridentate. This last acetate group acts as a bridge between neighbouring metal atoms, leading to an intradimer Dy...Dy separation of 4.170 (1) A.
The structure of bis(1,10-phenanthroline-kappa(2)N,N')(thiosulfato-kappa(2)O:S)manganese(II) methanol solvate, [Mn(S(2)O(3))(C(12)H(8)N(2))(2)].CH(3)OH, is made up of Mn(2+) centers coordinated to two bidentate phenanthroline (phen) groups and an S,O-chelating thiosulfate anion, forming monomeric entities. The structure of catena-poly[[diaqua(2,9-dimethyl-1,10-phenanthroline-kappa(2)N,N')manganese(II)]-mu-thiosulfato-kappa(2)O:S], [Mn(S(2)O(3))(C(14)H(12)N(2))(H(2)O)(2)](n), is polymeric, consisting of Mn(dmph)(H(2)O)(2) units (dmph is 2,9-dimethyl-1,10-phenanthroline) linked by thiosulfate anions acting in an S,O-chelating manner.
Two new nickel nitrates, diaquabis(3,4,7,8-tetramethyl-1,10-phenanthroline-kappa2N,N')nickel(II) dinitrate methanol solvate, [Ni(C(16)H(16)N(2))(2)(H(2)O)(2)](NO(3))(2) x CH(4)O, (I), and triaqua[2,4,6-tris(2-pyridyl)-1,3,5-triazine-kappa3N1,N2,N6]nickel(II) dinitrate trihydrate, [Ni(C(18)H(12)N(6))(H(2)O)(3)](NO(3))(2) x 3H(2)O, (II), are reported. In both structures, the cation is octahedrally coordinated, to two bidentate 3,4,7,8-tetramethyl-1,10-phenanthroline (tmp) and two water molecules in (I), and to one tridentate 2,4,6-tris(2-pyridyl)-1,3,5-triazine (tpt) and three water molecules in (II). Both structures are stabilized by extensive hydrogen-bonding interactions.