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Poly[[diaqua-bis-{?-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-?(2)O:N(4')}zinc] dimethyl-formamide tetra-solvate].

ABSTRACT: In the title compound, {[Zn(C(24)H(15)N(2)O(4))(2)(H(2)O)(2)]·4C(3)H(7)NO}(n), the Zn(II) ion is located on an inversion center and is six-coordinated by two N atoms from two ligands, two carboxylate O atoms from two other symmetry-related ligands and two O atoms from two water mol-ecules, furnishing a slightly distorted octa-hedral geometry. The Zn(II) atoms are connected by the bridging ligands into a layer parallel to (101). O-H?O hydrogen bonds link the layers and the dimethyl-formamide solvent mol-ecules. ?-? inter-actions between the pyridine and benzene rings [centroid-centroid distances = 3.7428?(17) and 3.7619?(17)?Å] and intra-layer O-H?O hydrogen bonds are also present.

SUBMITTER: Ge X

PROVIDER: S-EPMC3515151 | biostudies-literature | 2012 Nov

REPOSITORIES: biostudies-literature

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Poly[[diaqua-bis-{μ-4-[6-(4-carboxyphenyl)-4,4'-bipyridin-2-yl]benzoato-κ(2)O:N(4')}zinc] dimethyl-formamide tetra-solvate].

Ge Xin X Song Shuyan S

Acta crystallographica. Section E, Structure reports online 20121027 Pt 11

In the title compound, {[Zn(C(24)H(15)N(2)O(4))(2)(H(2)O)(2)]·4C(3)H(7)NO}(n), the Zn(II) ion is located on an inversion center and is six-coordinated by two N atoms from two ligands, two carboxylate O atoms from two other symmetry-related ligands and two O atoms from two water mol-ecules, furnishing a slightly distorted octa-hedral geometry. The Zn(II) atoms are connected by the bridging ligands into a layer parallel to (101). O-H⋯O hydrogen bonds link the layers and the dimethyl-formamide solv ...[more]

PMID: 23284378

Similar Datasets

Poly[[diaqua-bis-{μ-4-[6-(4-carb-oxy-phen-yl)-4,4'-bipyridin-2-yl]benzoato-κ(2) O:N (1')}copper(II)] dimethyl-formamide tetra-solvate].

Project description:In the title compound, {[Cu(C24H15N2O4)2(H2O)2]·4C3H7NO} n , the Cu(II) ion, lying on an inversion center, is six-coordinated by two N atoms from two 4-[6-(4-carb-oxy-phen-yl)-4,4'-bipyridin-2-yl]benzoate (L) ligands, two deprotonated carboxyl-ate O atoms from two other symmetry-related L ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. The Cu(II) atoms are linked by the bridging ligands into a layer parallel to (101). The presence of intra-layer O-H⋯O hydrogen bonds and π-π inter-actions between the pyridine and benzene rings [centroid-centroid distances = 3.808 (2) and 3.927 (2) Å] stabilizes the layer. Further O-H⋯O hydrogen bonds link the layers and the dimethyl-formamide solvent mol-ecules.

| S-EPMC3629482 | biostudies-literature

(Dimethyl-formamide-?O){4,4',6,6'-tetra-bromo-2,2'-[o-phenyl-enebis(nitrilo-methyl-idyne)]diphenolato-?O,N,N',O'}copper(II) dimethyl-formamide solvate.

Project description:In the title compound, [Cu(C(20)H(10)Br(4)N(2)O(2))(C(3)H(7)NO)]·C(3)H(7)NO, the Cu(II) ion is coordinated by two N atoms and two O atoms from a tetra-dentate Schiff base ligand and the O atom of one dimethyl-formamide ligand in an almost square-pyramidal geometry. The uncoordinated dimethyl-formamide solvent mol-ecule is disordered over two sets of positions with occupancies of 0.741?(4) and 0.259?(4). The crystal packing is stabilized by C-H?O inter-actions.

| S-EPMC2969304 | biostudies-literature

Diaqua-bis[4-(dimethyl-amino)benzoato](isonicotinamide)zinc(II).

Project description:The mol-ecule of the title Zn(II) complex, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(H(2)O)(2)], contains two 4-(dimethyl-amino)benzoate (DMAB) ligands, one isonicotinamide (INA) ligand and two water mol-ecules; one of the DMAB ions acts as a bidentate ligand while the other and INA are monodentate ligands. The four O atoms in the equatorial plane around the Zn atom form a distorted square-planar arrangement, while the distorted octa-hedral coordination is completed by the N atom of the INA ligand and the O atom of the water mol-ecule in the axial positions. Intra-molecular C-H?O hydrogen bonding results in the formation of a six-membered ring adopting an envelope conformation. The dihedral angle between the carboxyl groups and the adjacent benzene rings are 4.87?(16) and 2.2?(2)°, while the two benzene rings are oriented at a dihedral angle of 65.13?(8)°. The dihedral angle between the benzene and pyridine rings are 11.47?(7) and 74.83?(8)°, respectively. In the crystal structure, inter-molecular O-H?O, O-H?N and N-H?O hydrogen bonds link the mol-ecules into a supra-molecular structure. ?-? contacts between the pyridine and benzene rings and between the benzene rings [centroid-centroid distances = 3.695?(1) and 3.841?(1)?Å, respectively] further stabilize the structure. Weak inter-molecular C-H?? inter-actions are also present.

| S-EPMC2969605 | biostudies-literature

Redetermination of diaqua-tetra-kis-(dimethyl-formamide-?O)magnesium dichloride.

Project description:The crystal structure of the title compound, [Mg(C(3)H(7)NO)(4)(H(2)O)(2)]Cl(2), in which the Mg ion lies on a crystallographic inversion centre, confirms that of the previous room-temperature study [Pavanello et al. (1995 ?). Main Group Met. Chem.18, 9-19]. This redetermination at 113?K has improved geometry precision by almost an order of magnitude [e.g. Mg-O(w) (w = water) distances = 2.094?(4) and 2.0899?(7)?Å in the old and new structures, respectively] and allowed the water H atoms to be located and their positions refined. In the crystal, O-H?Cl hydrogen bonds between the two aqua ligands of the complex mol-ecule and neighboring chloride counter-anions generate supra-molecular chains propagating along [010]. The dicationic [Mg(DMF)(4)(H(2)O)(2)] unit (DMF is dimethyl-formamide) adopts a slightly distorted octa-hedral geometry in which the Mg atom is coordinated by four DMF O atoms in a pseudo-tetra-gonal arrangement and two trans aqua ligands.

| S-EPMC3212177 | 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

2,2'-(Biphenyl-4,4'-diyldi-oxy)diacetic acid N,N-dimethyl-formamide solvate.

Project description:In the crystal struture of the title compound, C(16)H(14)O(6)·C(3)H(7)NO, the two crystallographically independent benzene rings are coplanar [dihedral angle = 1.00?(2)°]. The crystal structure is stabilized by O-H?O hydrogen bonds between the diacid and the solvate dimethylformamide mol-ecule, resulting in the formation of a zigzag chain structure extending parallel to [001].

| S-EPMC2977266 | biostudies-literature

Redetermination of cyclo-tetra-kis-(μ-5,10,15,20-tetra-4-pyridyl-porphyrinato)tetra-zinc(II) dimethyl-formamide octa-solvate trihydrate at 100 K.

Project description:The structure of the title compound, [Zn(4)(C(40)H(24)N(8))(4)]·8C(3)H(7)NO·3H(2)O, has been redetermined at 100 K. The redetermination is of significantly higher precision and gives further insight into the disorder of pyridyl groups and solvent mol-ecules. The mol-ecules of (5,10,15,20-tetra-4-pyridyl-porphyrinato)zinc(II) (ZnTPyP) form homomolecular cyclic tetra-mers by coordination of a peripheral pyridyl group to the central Zn atom of an adjacent symmetry-related mol-ecule. The tetra-mer so formed exhibits mol-ecular S(4) symmetry and is located about a crystallographic fourfold rotoinversion axis. Severely disordered dimethyl-formamide and water mol-ecules are present in the crystal, the contributions of which were omitted from refinement. Inter-molecular C-H⋯N hydrogen bonding is observed.

| S-EPMC3051794 | biostudies-literature

Tetra-kis(8-quinolinolato-?N,O)hafnium(IV) dimethyl-formamide solvate monohydrate.

Project description:In the title compound, [Hf(C(9)H(6)NO)]·C(3)H(7)NO·H(2)O, the hafnium(IV) atom is coordinated by four 8-quinolinolate (Ox) ligands, forming a slightly distorted square-anti-prismatic coordination polyhedron. The crystal packing is controlled by O-H?O and C-H?O hydrogen-bonding inter-actions and ?-? inter-actions between quinoline ligands of neighbouring mol-ecules. The inter-planar distances vary between 3.150?(1) and 3.251?(2)?Å, while centroid-centroid distances vary from 3.589?(1) to 4.1531?(1)?Å.

| S-EPMC2979151 | biostudies-literature

Acetoguanamine N,N-dimethyl-formamide solvate.

Project description:The structure of acetoguanamine (or 2,4-diamino-6-methyl-1,3,5-triazine) has been determined as the N,N-dimethyl-formamide solvate, C(4)H(7)N(5)·C(3)H(7)NO. The mol-ecular components are associated in the crystal structure to form ribbons stabilized by three N-H⋯N and one N-H⋯O hydrogen bonds which involve NH groups as donors and the N atoms of the heterocyclic ring and the carbonyl O atom of the solvent as acceptors.

| S-EPMC2960528 | biostudies-literature

Diaqua-bis-[4-(dimethyl-amino)-benzoato-?O]bis-(nicotinamide-?N)zinc(II) dihydrate.

Project description:In the centrosymmetric title structure, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) cation, located on an inversion center, is coordinated by two 4-(methyl-amino)-benzoate anions, two nicotinamide ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.09?(9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.10?(4)°. The uncoordinated water mol-ecule is linked to nicotinamide ligands by O-H?O hydrogen bonds. In the crystal, inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. A weak N-H?? inter-action also occurs.

| S-EPMC3011468 | biostudies-literature

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