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4-(4-Pyrid-yl)pyridinium 3',4,4'-tricarboxy-biphenyl-3-carboxyl-ate dihydrate.

ABSTRACT: In the title compound, C(10)H(9)N(2) (+)·C(16)H(9)O(8) (-)·2H(2)O, both the cation and anion possess crystallographically imposed centres of symmetry, causing the nitro-gen-bound H atom in the 4-(4-pyrid-yl)pyridinium cation and the acidic H atom of the carboxyl-ate groups at the 3 and 3' positions in the anion to be disordered over two positions with equal occupancies. In the crystal packing, the cations, anions and water mol-ecules are connected by O-H?O, C-H?O and N-H?N hydrogen bonds, forming layers parallel to (20). These layer are further connected into a three-dimensional supra-molecular network by O-H?O hydrogen bonds involving the water mol-ecules as H-atom donors and by weak ?-? stacking inter-actions between neighbouring benzene and pyridine rings, with centroid-centroid distances of 3.756?(5)?Å.

SUBMITTER: Han L

PROVIDER: S-EPMC2980244 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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4-(4-Pyrid-yl)pyridinium 3',4,4'-tricarboxy-biphenyl-3-carboxyl-ate dihydrate.

Han Lu L Luo Huan-Mian HM Meng Qiu-Hui QH Luo Yi-Fan YF Zeng Rong-Hua RH

Acta crystallographica. Section E, Structure reports online 20091209 Pt 1

In the title compound, C(10)H(9)N(2) (+)·C(16)H(9)O(8) (-)·2H(2)O, both the cation and anion possess crystallographically imposed centres of symmetry, causing the nitro-gen-bound H atom in the 4-(4-pyrid-yl)pyridinium cation and the acidic H atom of the carboxyl-ate groups at the 3 and 3' positions in the anion to be disordered over two positions with equal occupancies. In the crystal packing, the cations, anions and water mol-ecules are connected by O-H⋯O, C-H⋯O and N-H⋯N hydrogen bonds, formin ...[more]

PMID: 21580169

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