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4,4'-(Ethene-1,2-diyl)dipyridinium bis-[4-(2-carboxy-benzo-yl)benzoate].

ABSTRACT: In the crystal structure of the title compound, C(12)H(12)N(2) (2+)·2C(15)H(9)O(5) (-), the cation has site symmetry with the mid-point of C=C bond located on an inversion center. The two benzene rings of the anion are oriented at a dihedral angle 85.87 (6)°. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the cations and anions into supra-molecular double chains, which are further connected into a three-dimensional network through inter-molecular C-H⋯O and π-π stacking between parallel pyridine rings [centroid-centroid distance = 3.4413 (12)Å] and between parallel benzene rings [centroid-centroid distance = 3.6116 (14)Å].

SUBMITTER: Li C

PROVIDER: S-EPMC2971962 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4,4'-(Ethane-1,2-diyl)dipyridinium bis-(2-hy-droxy-benzoate).

Project description:In the crystal structure of the title compound, C(12)H(14)N(2) (2+)·2C(7)H(5)O(3) (-), the cations and anions are linked via N-H?O hydrogen bonds and weak inter-molecular C-H?O inter-actions also occur. ?-? stacking is observed between the nearly parallel benzene and pyridine rings [dihedral angle = 6.03?(8)°], the centroid-centroid separation being 3.7546?(16)?Å. The 4,4'-(ethane-1,2-diyl)dipyridinium cation is centrosymmetric and the mid-point of the ethyl-ene C-C bond is located on an inversion center. An intra-molecular O-H?O hydrogen bond occurs in the anion.

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Project description:The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo-hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol-ecules assemble in the crystal as chains along the c axis via C-H⋯π inter-actions between the cyclo-hexane ring and a pair of nitro-phenyl rings of the neighbouring mol-ecule. Also observed are π-π stacking inter-actions between the nitro-phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å.

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1,1'-(Ethane-1,2-di-yl)dipyridinium bis-(iodate).

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