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5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.

ABSTRACT: The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H?O and O-H?N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal.

SUBMITTER: Xin JH

PROVIDER: S-EPMC3011479 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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5,5'-(Butane-1,4-di-yl)bis-(1H-tetra-zole) dihydrate.

Xin Jian-Hua JH Tong Xiao-Lan XL

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

The title compound, C(6)H(10)N(8)·2H(2)O, was prepared by the reaction of hexanedinitrile and sodium azide. The di-1H-tetra-zole mol-ecule lies on a crystallographic centre of inversion and is linked to the water mol-ecules by N-H⋯O and O-H⋯N hydrogen bonds, forming a two-dimensional supra-molecular structure in the crystal. ...[more]

PMID: 21589604

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5,5'-[(1,4-Phenyl-enedimethyl-ene)bis-(sulfanedi-yl)]bis-(1-methyl-1H-1,2,3,4-tetra-zole).

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5,5'-(p-Phenyl-ene)di-1H-tetra-zole.

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1,1'-(Butane-1,4-di-yl)diimidazole-3,3'-diium tetra-chloridozincate(II) dihydrate.

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1,1'-(Butane-1,4-di-yl)bis-[2-(pyridin-2-yl)-1H-benzimidazole].

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catena-Poly[[[dichloridozinc(II)]-?-1,4-bis-(1H-benzimidazol-2-yl-?N)butane] 1,4-bis-(1H-benzimidazol-2-yl)butane solvate].

Project description:In the crystal structure of the title coordination polymer/co-crystal, {[ZnCl(2)(C(18)H(18)N(4))]·C(18)H(18)N(4)}(n), the tetrahedrally coordinated Zn(II) ions are linked by the N-heterocycle into a linear chain. Another N-heterocycle present is not coordinated to the metal atom but inter-acts with the chain through N-H?N and N-H?Cl hydrogen bonds. The butyl chain of the uncoordinated ligand is disordered over three positions in a 0.511?(4):0.289?(5):0.200?(5) ratio.

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Poly[[[?(2)-1,1'-(butane-1,4-di-yl)bis-(1H-imidazole)-?N:N](?(2)-2,6-di-methyl-pyridine-3,5-dicarboxyl-ato-?O:O)zinc] dihydrate].

Project description:In the title coordination polymer, {[Zn(C(9)H(7)NO(4))(C(10)H(14)N(4))]·2H(2)O}(n), the Zn(II) ion displays a distorted tetra-hedral geometry with two imidazole N atoms from two 1,1'-(butane-1,4-di-yl)bis-(imidazole) (bbi) ligands and two carboxyl-ate O atoms from two 2,6-dimethyl-pyridine-3,5-dicarboxyl-ate (dpdc) ligands. The bbi and dpdc ligands bridge the Zn(II) ions, forming layers parallel to (011). O-H?O and O-H?N hydrogen bonds and ?-? inter-actions between the imidazole rings [centroid-centroid distance = 3.807?(5)?Å] connect the layers. Two of the three uncoordinated water mol-ecules are disordered, each over two 0.25-occupancy positions.

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