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Tris{4-[(2H-tetra-zol-5-yl)meth-yl]morpholinium} dodeca-tungstophosphate hexa-hydrate.

ABSTRACT: The title heteropolyoxidotungstate-based inorganic-organic hybrid material, (C(6)H(12)N(5)O)(3)[W(12)(PO(4))O(36)]·6H(2)O, consists of one α-Keggin-type [W(12)(PO(4))O(36)](3-) polyoxidometalate anion (POM), three crystallographically independent 4-[(2H-tetra-zol-5-yl)meth-yl]morpholinium cations and six water mol-ecules of crystallization. The morpholine ring of the cation adopts a chair conformation. The anion shows characteristic features with respect to bond lengths and angles. An extensive network of N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen-bonding inter-actions between the organic cations, inorganic anion and the crystal water mol-ecules lead to a three-dimensional structure. Moreover, six uncoordinated water mol-ecules increase the number of hydrogen bonds in the network and lead to the formation of (H(2)O)(∞) clusters.

SUBMITTER: Feizyzadeh B

PROVIDER: S-EPMC3052096 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Tetra-kis{4-[(2H-tetra-zol-5-yl)meth-yl]morpholin-4-ium} dodeca-tungstosilicate hexa-hydrate.

Project description:The crystal structure of the title compound, (C(6)H(12)N(5)O)(4)[W(12)(SiO(4))O(36)]·6H(2)O, consists of an α-Keggin-type [W(12)(SiO(4))O(36)](4-) polyoxidoanion, four [(2H-tetra-zol-5-yl)meth-yl]morpholinium cations and six uncoordinated water mol-ecules. In the cations, the morpholine rings display chair conformations. Extensive N-H⋯O, N-H⋯N, O-H⋯O and O-H⋯N hydrogen bonds are present in the crystal structure.

| S-EPMC3051431 | biostudies-literature

Tris(morpholinium) hexa-?(3)-hydroxido-hexa-?(2)-oxido-dodeca-oxidohexa-molybdenum(VI)chromate(III) tetra-hydrate.

Project description:In the title organic-inorganic hybrid compound, (C(4)H(10)NO)(3)[H(6)CrMo(6)O(24)]·4H(2)O, the Anderson-type [H(6)CrMo(6)O(24)](3-) polyoxoanion is centrosymmetric, with the Cr(III) ion lying on an inversion center. One of the two crystallographiclly independent morpholinium cations is half-occupied. Inter-molecular N-H?O and O-H?O hydrogen bonds link the cations, polyoxoanions and uncoordinated water mol-ecules.

| S-EPMC3120305 | biostudies-literature

4-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile.

Project description:The title compound, C(9)H(7)N(5), was synthesized by reaction of 4-(bromomethyl)benzonitrile and 2H-tetrazole in the presence of KOH. The relative orientation of the planar tetra-zole ring and the methyl-benzonitrile moiety is (-)-anti-clinal. The crystal packing is dominated by van der Waals inter-actions.

| S-EPMC2960265 | biostudies-literature

2-[(2H-Tetra-zol-2-yl)meth-yl]benzonitrile.

Project description:The title compound, C(9)H(7)N(5), is non-planar with a dihedral angle between the substituted benzene and tetra-zole rings of 71.13 (9)°. Molecules are connected in centrosymmetric dimers by weak C-H⋯N inter-actions [C⋯N is 3.548 (5) Å]; these are the only interactions of significance in the crystal structure.

| S-EPMC2915282 | biostudies-literature

5-{4'-[(5-Benzyl-2H-tetra-zol-2-yl)meth-yl]biphenyl-2-yl}-1H-tetra-zole monohydrate.

Project description:In the title compound, C22H18N8·H2O, the dihedral angle between the tetra-zole rings is 69.58?(1)° while the terminal phenyl ring makes dihedral angles of 26.98?(8) and 39.75?(8)° with the other benzene rings. The rings of the biphenyl unit subtend a dihedral angle of 55.23?(8)°. In the crystal, the solvent water mol-ecule is linked to the main mol-ecule via an N-H?O hydrogen bond. In addition, C-H?N and O-H?N hydrogen bonds link the components into chains along [010]. The crystal structure also features C-H?? and ?-? inter-actions, with centroid-centroid distances of 3.6556?(9) and 3.826?(1)?Å.

| S-EPMC3648274 | biostudies-literature

1,3,5-Tris(2H-tetra-zol-5-ylmeth-oxy)-benzene.

Project description:The title compound, C(12)H(12)N(12)O(3), was obtained by the hydro-thermal reaction of 1,3,5-tricyano-methoxy-benzene and (CH(3))(3)SiN(3). The mol-ecule is almost planar, with an r.m.s. deviation of 0.0976 Å from the plane through all atoms in the mol-ecule. The three tetra-zole rings make dihedral angles of 13.09 (19), 2.01 (19) and 11.56 (18)° with one another and corresponding angles of 8.66 (17), 5.44 (16) and 3.51 (17)° with the central benzene ring. In the crystal structure, inter-molecular N-H⋯N hydrogen bonds form well separated one-dimensional planar sheets.

| S-EPMC2915205 | biostudies-literature

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]cadmium(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Project description:The hydro-thermally prepared title compound, [Cd(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, is isotypic with its Mn(II) analogue [Hao et al. (2010 ?). Acta Cryst. E66, m231-m232]. The Cd(II) cation is in a distorted octa-hedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the reduced heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds contribute to the crystal packing. Compared with the Mn(II) analogue, the Cd-N bond lengths are longer at 2.316?(7)-2.334?(6)?Å, versus 2.224?(6)-2.283?(5)?Å for Mn-N, whereas all other bond lengths and angles and the hydrogen-bonding motifs are very similar in the two structures.

| S-EPMC2983543 | biostudies-literature

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]iron(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Project description:Crystals of the title compound, [Fe(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, prepared under hydro-thermal conditions, are isotypic with the Mn(2+) and Cd(2+) analogues. The Fe(2+) cation is in a distorted octa-hedral coordination by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. The heteropoly-anion [PMo(12)O(40)](4-) is a one-electron reduced species in which two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds make a contribution to the crystal packing. The Fe-N bond lengths [2.085?(19)-2.15?(2)?Å] are somewhat shorter than the Mn-N and Cd-N bond lengths [2.224?(6)-2.283?(5) and 2.316?(7)-2.334?(6)?Å, respectively]. All other bond lengths and angles and the hydrogen-bonding motifs are very similar in the isotypic structures.

| S-EPMC2983704 | biostudies-literature

Bis{tris-[3-(2-pyrid-yl)-1H-pyrazole]nickel(II)} dodeca-molybdo(V,VI)phosphate hexa-hydrate.

Project description:The hydro-thermally prepared title compound, [Ni(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O, is a member of the isotypic series [(M(C(8)H(7)N(3))(3)](2)[PMo(12)O(40)]·6H(2)O where M is Mn, Cd, and Fe. The Ni(2+) cation is in a distorted octa-hedral environment, coordinated by six N atoms from three chelating 3-(2-pyrid-yl)-1H-pyrazole ligands. In the one-electron reduced heteropolyanion, two O atoms of the central PO(4) group ( symmetry) are equally disordered about an inversion centre. N-H?O and O-H?O hydrogen bonds contribute to the crystal packing. Compared with the isotypic structures, the main difference is related with the M-N bond lengths, whereas all other bond lengths, angles and the hydrogen-bonding motifs are very similar.

| S-EPMC2983742 | biostudies-literature

Tris[hexa-amminecobalt(III)] bis-[tri-oxalato-cobaltate(II)] chloride dodeca-hydrate.

Project description:The title compound, [Co(III)(NH?)?]?[Co(II)(C?O?)?]?Cl·12H?O, was synthesized under hydro-thermal conditions. The asymmetric unit comprises two [Co(NH?)?]³? cations, one located on a threefold axis and the other on a site of symmetry -3, a [Co(C?O?)?]?? anion, located on a threefold axis, one sixth of a chloride anion [disordered over two sites, one threefold (site occupancy = 0.5) and the other -3 (site occupancy (0.25)] and two water molecules. Both Co(III) centers are six-coordinated by NH? mol-ecules, forming [Co(NH?)?]³? octa-hedra, with Co-N distances in the range 1.958?(2)-1.977?(3)?Å. The title structure gives the first example of the [Co(C?O?)?]?? anion, with the distorted octa-hedral environment of Co(II) center formed by six O atoms from three oxalate residues. The Co-O bond lengths are 2.0817?(18) to 2.0979?(18)?Å. Multiple N-H?O, N-H?Cl and O-H?O hydrogen bonds link the cations, anions and water mol-ecules into a three-dimensional network.

| S-EPMC3393183 | biostudies-literature

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