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Poly[bis-(1,3-dimethyl-imidazolidin-2-one)(?2-2,5-dioxidoterephthalato)zirconium(IV)].

ABSTRACT: In the title coordination polymer, [Zr(C8H2O6)(C5H10N2O)2] n , the Zr(IV) atom (site symmetry 2) is coordinated by two O,O'-bidentate 2,5-dioxidoterephthalate (DHTP(4-)) ligands and two O-bonded 1,3-dimethyl-2-imidazolidinone (DMI) ligands (the latter in a cis orientation) in a distorted ZrO6 octa-hedral geometry. The deprotonated hy-droxy and carb-oxy O atoms of the DHTP(4-) ligand chelate the Zr(IV) ion via a six-membered ring; the dihedral angle between the carboxyl-ate group and the aromatic ring is 14.46?(11)°. The DHTP(4-) ligand is completed by crystallographic inversion symmetry and coordinates to two Zr(IV) atoms, thereby forming polymeric zigzag chains propagating in [001].

SUBMITTER: Maercz M

PROVIDER: S-EPMC3588485 | biostudies-other | 2013 Mar

REPOSITORIES: biostudies-other

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Poly[bis-(1,3-dimethyl-imidazolidin-2-one)(μ2-2,5-dioxidoterephthalato)zirconium(IV)].

Maercz Matthias M Wragg David Stephen DS Dietzel Pascal Daniel Croumbie PD Fjellvåg Helmer H

Acta crystallographica. Section E, Structure reports online 20130216 Pt 3

In the title coordination polymer, [Zr(C8H2O6)(C5H10N2O)2] n , the Zr(IV) atom (site symmetry 2) is coordinated by two O,O'-bidentate 2,5-dioxidoterephthalate (DHTP(4-)) ligands and two O-bonded 1,3-dimethyl-2-imidazolidinone (DMI) ligands (the latter in a cis orientation) in a distorted ZrO6 octa-hedral geometry. The deprotonated hy-droxy and carb-oxy O atoms of the DHTP(4-) ligand chelate the Zr(IV) ion via a six-membered ring; the dihedral angle between the carboxyl-ate group and the aromatic ...[more]

PMID: 23476498

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Poly[bis-(1,3-dimethyl-1,3-diazinan-2-one)(2,5-dioxidoterephthalato)zirconium(IV)].

Project description:In the title coordination polymer, [Zr(C8H2O6)(C6H12N2O)2] n , the Zr(IV) atom, which lies on a crystallographic twofold rotation axis, is coordinated by two O,O'-bidentate 2,5-dioxidoterephthalate (DHTP(4-)) ligands and two O-bonded 1,3-dimethyl-1,3-diazinan-2-one (DMPU) ligands (the latter in a cis orientation) in a distorted ZrO6 octa-hedral geometry. The deprotonated hy-droxy and carb-oxy O atoms of the DHTP(4-) ligand chelate the Zr(IV) ion via a six-membered ring; the dihedral angle between the carboxyl-ate group and the aromatic ring is 19.94?(11)°. The DHTP(4-) ligand is completed by crystallographic inversion symmetry and coordinates to two Zr(IV) atoms, thereby forming polymeric zigzag chains propagating in the c-axis direction.

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2,5-Dimethyl-1,3-dinitro-benzene.

Project description:The title compound, C(8)H(8)N(2)O(4), was prepared via the nitration of p-xylene. The mol-ecules are stacked along the c axis in an antiparallel manner. The two nitro groups are rotated relative to the benzene ring with dihedral angles of 44.50 (7) and 31.67 (8)°. The tilt of the nitro groups allows the formation of C-H⋯O inter-actions between the ring C-H and nitro groups of adjacent mol-ecules creating puckered sheets perpendicular to the c axis. The H atoms of the methyl group in the 5-position are disordered (60° rotation) with an occupancy of 0.616 (19) for the major component. The crystal was found to be a non-merohedral twin with a twin law [-1 -0.002 0.005, 0.00031 -1 0.002, 0.118 -0.007 1] corresponding to a rotation of 180° about the reciprocal axis (001) and refined to give a minor component fraction of 0.320 (2).

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Poly[tris-(2,5-dimethyl-benzene-1,4--dicarboxyl-ato)bis-(pyridine)trizinc(II)].

Project description:The asymmetric unit of the title polymeric compound, [Zn(3)(C(10)H(8)O(4))(3)(C(5)H(5)N)(2)](n) or [Zn(3)(dmbdc)(3)(py)(2)](n) (dmbdc = 2,5-dimethyl-benzene-dicarboxyl-ate; py = pyridine) contains two Zn(II) ions, one of which is located on an inversion centre, one and a half 2,5-dimethyl-benzene-dicarboxyl-ate ligands and one pyridine ligand. Each ZnO(6) octa-hedron is sandwiched between two ZnO(4)N square-pyramids, forming a trinuclear zinc secondary building unit (SBU); each SBU is further linked by six 2,5-dimethyl-benzene-dicarboxyl-ate ligands with six adjacent trinuclear zinc SBU's, forming a two-dimensional layer structure with a (3,6) net. One of the three zinc ions is octa-hedrally coordinated and the other two are square-pyramidally coordinated. The coordination modes for 2,5-dimethyl-benzene-dicarboxyl-ates are bis-(bidentate) or bidentate-tridentate.

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Project description:The monomeric title zirconium(IV) compound, [Zr(C(12)H(21)N(2)Si)(2)Cl(2)], was prepared by the metathetical reaction of [LiN(SiMe(2)NMe(2))(2,6-Me(2)C(6)H(3))](2) with zirconium tetra-chloride. The Zr(IV) atom is N,N'-chelated by the N-silylated anilido ligand. Along with two Cl atoms, the six-coordinated Zr(IV) atom demonstrates a highly distorted octa-hedral geometry. The two ligands around the Zr(IV) atom are arranged cis to each other and obey the C(2) symmetry operation. That means the asymmetric unit consists of only half of the mol-ecular compound and the complete mol-ecule is generated by a twofold axis. The two ends of the N-Si-N chelating unit exhibit different affinities for the metal center. The Zr-N(amino) bond is longer than the Zr-N(anilido) bond.

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1,4-Bis(dimethyl-silyl)-2,5-diphenyl-benzene.

Project description:The mol-ecule of the title compound, C(22)H(26)Si(2), is centrosymmetric. The dihedral angle between the central benzene ring and its phenyl substituents is 67.7?(2)°. The crystal packing is stabilized by van der Waals forces.

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2,5-Dimethyl-hexane-2,5-diyl bis-(4-nitro-phen-yl) dicarbonate.

Project description:The title structure, C(22)H(24)N(2)O(10), contains two independent centrosymmetric mol-ecules. The only significant difference between the mol-ecules is the dihedral angle between the unique carbonate group (-O-CO(2)-) and the benzene ring, the values being 77.35 (8) and 66.42 (8)°. The crystal structure is stabilized by weak inter-molecular C-H⋯O hydrogen bonds.

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catena-Poly[[dimethyl-bis-(thio-cyanato-κN)tin(IV)]-μ-(4,4'-bipyridine-κN:N')].

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