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4,4'-[8b,8c-Bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetra-hydro-1H,4H-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-2,6-diyl]dipyridinium bis-(tetra-fluorido-borate).

ABSTRACT: In the title compound, C(26)H(32)N(8)O(6) (2+)·2BF(4) (-), the cation is built up from four fused rings, viz. two nearly planar imidazole rings and two triazine rings exhibiting chair conformations. One eth-oxy group is disordered between two positions in an approximate ratio 3:2. The F atoms of the two anions are each rotationally disordered between two orientations in the same 3:2 ratio. The crystal structure is stabilized by inter-molecular N-H?O, C-H?F and N-H?F inter-actions.

SUBMITTER: Qin SQ

PROVIDER: S-EPMC2960665 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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4,4'-[8b,8c-Bis(ethoxycarbonyl)-4,8-dioxo-2,3,5,6-tetra-hydro-1H,4H-2,3a,4a,6,7a,8a-hexa-azacyclo-penta-[def]fluorene-2,6-diyl]dipyridinium bis-(tetra-fluorido-borate).

Qin Shu-Qi SQ Pang Tao T Li Yi-Tao YT

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

In the title compound, C(26)H(32)N(8)O(6) (2+)·2BF(4) (-), the cation is built up from four fused rings, viz. two nearly planar imidazole rings and two triazine rings exhibiting chair conformations. One eth-oxy group is disordered between two positions in an approximate ratio 3:2. The F atoms of the two anions are each rotationally disordered between two orientations in the same 3:2 ratio. The crystal structure is stabilized by inter-molecular N-H⋯O, C-H⋯F and N-H⋯F inter-actions. ...[more]

PMID: 21201678

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Dipropyl 4,8-dioxo-1H,5H-2,6-dioxa-3a,4a,7a,8a-tetra-azacyclo-penta-[def]fluorene-8b,8c-dicarboxyl-ate.

Project description:The title compound, C(16)H(22)N(4)O(8), is a glycoluril derivative with two propoxycarbonyl substituents on the convex face of the glycoluril system. The dihedral angle between the five-membered rings in the glycoluril unit is 72.70?(2)°. The oxadiazinane six-membered ring displays a normal chair conformation. One of the propyl groups is disordered over two positions with site occupancies of 0.557?(7) and 0.443?(7). Inter-molecular C-H?O hydrogen bonds are effective in the stabilization of the crystal structure.

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Project description:In the title mol-ecule, C(24)H(28)N(6)O(2)S(2), the dihedral angle between the aromatic ring planes is 42.2?(1)°. In the crystal structure, the hydr-oxy groups are involved in O-H?S hydrogen bonding, which links the mol-ecules into corrugated layers propagating parallel to the bc plane.

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Project description:In the crystal of the title compound, C(25)H(20)Br(2)N(2) (2+)·2ClO(4) (-), inter-molecular N-H?O and C-H?O hydrogen bonds, along with C-H?? inter-actions, stabilize the crystal structure.

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Project description:In the title complex, {[Cu(2)Mo(CN)(8)(C(12)H(30)N(6)O(2))(2)]·4H(2)O}(n), the polyhedron around Mo has site symmetry with a distorted square-antiprismatic shape, while the Cu atom (2 symmetry) is in a distorted axially elongated octa-hedral coordination environment. The uncoordinated water molecule is disordered over three sites with occupancies of 0.445 (7), 0.340 (7) and 0.215 (7). Mo and Cu atoms acting as basic components are connected by an Mo-CN-Cu-NC-Mo- linkage to form a distorted diamond-like network. Additional hydrogen bonding between the N-H groups and the water molecules stabilizes this arrangement.

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(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)nickel(II) bis-(O,O'-dibenzyl dithio-phosphate).

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(meso-5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetra-azacyclo-tetra-deca-ne)copper(II) bis-(O,S-dibenzyl dithio-phosphate).

Project description:In the crystal structure of the title compound, [Cu(C(16)H(36)N(4))](C(14)H(14)O(2)PS(2))(2), the Cu(II) atom is located on an inversion center and is chelated by four N atoms of the macrocyclic meso-5,5,7,12,12,14- hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-decane ligand in a square-planar geometry, with Cu-N distances of 2.013 (3) and 2.014 (3) Å. In the crystal structure, one O,S-dibenzyl dithio-phosphate counter-anion links with the Cu(II) complex cation through N-H⋯O and N-H⋯S hydrogen bonding. During the synthesis, the structure of the anion re-arranged from O,O'-dibenzyl dithio-phosphate in the starting material to O,S-dibenzyl dithio-phosphate in the title compound.

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Project description:In the title compound, [Ni(C(16)H(32)N(4))](C(14)H(14)O(2)PS(2))(2) or [Ni(trans[14]dien)][S(2)P(OC(6)H(4)Me-4)(2)](2), where trans[14]dien is meso-5,7,7,12,14,14-hexa-methyl-1,4,8,11-tetra-azacyclo-tetra-deca-4,11-diene, the Ni(II) ion lies across a centre of inversion and is four-coordinated in a relatively undistorted square-planar arrangement by the four N atoms of the macrocyclic ligand trans[14]dien. The two O,O'-di(4-methyl-phen-yl)dithio-phos-phates act as counter-ions to balance the charge. Important geometric data include Ni-N = 1.9135?(16) and 1.9364?(15)?Å.

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