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1-(3-Carboxyl-atophen-yl)-4,4'-bipyridin-1-ium dihydrate.

ABSTRACT: In the crystal structure of the title compound, C17H12N2O2·2H2O, the carboxyl-ate group is linked via O-H?O hydrogen bonds to two water mol-ecules. The crystal packing is best described as parallel layers (viewed along the a axis) of viologen and water mol-ecules associated via O-H?O hydrogen bonds and ?-? inter-actions, with a centroid-centroid separation of 3.8276?(9)?Å.

SUBMITTER: Fan M

PROVIDER: S-EPMC3790377 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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1-(3-Carboxyl-atophen-yl)-4,4'-bipyridin-1-ium dihydrate.

Fan Mengchan M Yao Zhenguo Z Li Chen C Fu Zhiyong Z

Acta crystallographica. Section E, Structure reports online 20130904 Pt 10

In the crystal structure of the title compound, C17H12N2O2·2H2O, the carboxyl-ate group is linked via O-H⋯O hydrogen bonds to two water mol-ecules. The crystal packing is best described as parallel layers (viewed along the a axis) of viologen and water mol-ecules associated via O-H⋯O hydrogen bonds and π-π inter-actions, with a centroid-centroid separation of 3.8276 (9) Å. ...[more]

PMID: 24098199

Similar Datasets

1-(2-Methyl-phen-yl)-4,4'-bipyridin-1-ium tetra-fluorido-borate.

Project description:Crystals of the title compound, C17H15N2 +·BF4 -, were unexpectedly grown from crystallization attempts of [Pt(4,4'-bpy)4](BF4)2 [Smith et al. (2019 ▸). Comments Inorg. Chem. 39, 188-215] using toluene and aceto-nitrile. The tetra-fluoro-borate anion and the central pyridinium ring of the cation are disordered, with atomic site occupancies close to ½. The tolyl group of the cation has a 75.31 (11)° twist relative to the unsubstituted pyridyl group. This rotation allows for a centrosymmetric dimer of cations with weak hydrogen bonding between the pyridyl nitro-gen atom and a methyl H atom on the neighbouring cation.

| S-EPMC9462016 | biostudies-literature

2',6'-Bis(4-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium nitrate 0.25-hydrate.

Project description:In the title compound, C(24)H(17)N(2)O(4) (+)·NO(3) (-)·0.25H(2)O, the central pyridine ring of the 2',6'-bis-(4-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium cation is almost coplanar with one benzene ring [dihedral angle = 1.03?(5)°], while it makes dihedral angles of 9.59?(5)° with the other benzene ring and 13.66?(6)° with the pyridinium ring. In the crystal, N-H?O and O-H?O hydrogen bonds link the cations and nitrate anions into a sheet in the (302) plane. The crystal structure also exhibits ?-? inter-actions between the central pyridine ring and the benzene rings of neighboring mol-ecules [centroid-centroid distance = 3.6756?(13)?Å].

| S-EPMC3254403 | biostudies-literature

catena-Poly[[[di-aqua-cobalt(II)]-bis-{?-2-[3-(4-carboxyl-atophen-yl)pyridin-1-ium-1-yl]acetato}] dihydrate].

Project description:In the title polymeric coordination compound, {[Co(C14H10NO4)2(H2O)2]·2H2O} n , the Co(II) ion resides on an inversion center and exhibits a distorted o-cta-hedral coordination geometry defined by four O atoms from two pairs of equivalent monodentate carboxyl-ate groups from 2-[3-(4-carboxyl-atophen-yl)pyridin-1-ium-1-yl]acetate ligands and by two O atoms from two equivalent coordinating water mol-ecules. The zwitterionic di-carboxyl-ate ligands serve as bridges with two monodentate carboxyl-ate and the metal ions are linked by double bridges, forming polymeric chains running along [01-1]. The chains are further stabilized and associated into layers parallel to (011) through intra- and inter-chain hydrogen bonding and ?-? stacking inter-actions [inter-planar and centroid-centroid distances of 3.658?(3)?Å and 3.653?(2)?Å, respectively].

| S-EPMC3647799 | biostudies-other

2-Amino-5-(4-carboxyl-atophen-yl)-pyridinium monohydrate.

Project description:The title compound, C(12)H(10)N(2)O(2)·H(2)O, crystallizes as a zwitterion in which the pyridine N atom is protonated and the carb-oxy -OH group is deprotonated. The benzene and pyridinium rings are inclined with a dihedral angle of 6.63 (5)° between them. In the crystal, inter-molecular O-H⋯O and N-H⋯O hydrogen-bonding inter-actions link adjacent mol-ecules into a two-dimensional double layered supra-molecular network.

| S-EPMC3435761 | biostudies-literature

Crystal structure of poly[[?3-4,4'-(4,4'-bipyridine-2,6-diyl)dibenzoato]{?2-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-4'-ium-2-yl]benzoato}manganese(II)] hemi-hydrate].

Project description:The title compound, {[Mn(C24H14N2O4)(C24H16N2O4)]·0.5H2O} n , was obtained by the reaction of manganese nitrate with the ligand 4,4'-(4,4'-bi-pyridine-2,6-di-yl) di-benzoic acid under hydro-thermal conditions. The water O atom is located on a twofold rotation axis. The Mn(2+) ion is hepta-coordinated by six O atoms and one N atom from the ligands. In this structure, the ligands adopts two different forms, one completely deprotonated and one with a protonated N atom (pyridinium) and a carboxylic acid function. In the crystal, N-H?O and O-H?O hydrogen bonds consolidate the packing, forming a three-dimensional framework.

| S-EPMC4257299 | biostudies-literature

2-(4-Methyl-2-phenyl-piperazin-4-ium-1-yl)pyridine-3-carboxyl-ate dihydrate.

Project description:The title compound, C(17)H(19)N(3)O(2)·2H(2)O, is particularly useful in the preparation of mirtaza-pine, which is the active agent in a new class of anti-depressants. It crystallized as a zwitterion with two mol-ecules of water in the asymmetric unit. The crystal structure is dominated by a system of hydrogen bonds involving the positively charged N atom and both water mol-ecules.

| S-EPMC2961778 | biostudies-literature

Hexaaqua-magnesium 5-[1-(carboxyl-ato-meth-yl)pyridin-1-ium-4-yl]tetra-zol-2-ide chloride dihydrate.

Project description:In the title compound, [Mg(H(2)O)(6)](C(8)H(6)N(5)O(2))Cl·2H(2)O, the Mg(II) ion is surrounded by six water mol-ecules, exhibiting a slightly distorted octa-hedral coordination. The pyridine and tetra-zole rings are nearly coplanar, forming a dihedral angle of 4.63?(3)°. The complex cations, zwitterionic organic anions, Cl(-) anions and uncoordinated water mol-ecules are connected by O-H?O, O-H?N and O-H?Cl hydrogen bonds, leading to the formation of a three-dimensional network.

| S-EPMC3238749 | biostudies-literature

Tetra-aqua-bis-[1-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium-?N]zinc bis-(4,5-carb-oxy-benzene-1,2-dicarboxyl-ate) 2.5-hydrate.

Project description:In the complex cation of the title compound, [Zn(C(17)H(13)N(2)O(2))(2)(H(2)O)(4)](C(10)H(4)O(8))(2)·2.5H(2)O, the Zn(II) atom, lying on an inversion center, is coordinated by two N atoms from two N-(3-carb-oxy-phen-yl)-4,4'-bipyridin-1-ium ligands and four water mol-ecules in a distorted octa-hedral geometry. The pyromellitate anion is double deprotonated. O-H?O and C-H?O hydrogen bonds connect the cations, anions and uncoordinated water mol-ecules into a three-dimensional supra-molecular network. One of the two lattice water molecules shows an occupancy of 0.25. An intra-molecular O-H?O hydrogen bond is present in the anion.

| S-EPMC3238626 | biostudies-literature

Poly[aqua-[μ(3)-5-(2-carboxyl-atophen-yl)-1H-tetra-zolato]zinc(II)].

Project description:The title coordination polymer, [Zn(C(8)H(4)N(4)O(2))(H(2)O)](n), was prepared by the hydro-thermal reaction of zinc nitrate and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated zinc cations exist in the structure. One is tetra-hedrally coordinated by two O and two N from two ligands, the other is octa-hedrally coordinated by two N and two O from two ligands at equatorial sites and by two O atoms of water mol-ecules at axial sites, resulting in a two-dimensional framework. The crystal structure is stabilized by intra-molecular O-H⋯O and O-H⋯N hydrogen bonds.

| S-EPMC2961416 | biostudies-literature

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

Project description: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.

| S-EPMC2980244 | biostudies-other

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