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Crystal structure of catena-poly[[cadmium(II)-di-?2-bromido-?2-l-proline-?(2) O:O'] monohydrate].

ABSTRACT: In the title coordination polymer, {[CdBr2(C5H9NO2)]·H2O} n , the Cd(II) ion is coordinated by four bromido ligands and two carboxyl-ate oxygen atoms of two symmetry-related proline ligands, which exist in a zwitterionic form, in a distorted octa-hedral geometry. There is an intra-molecular N-H?O hydrogen bond between the amino group and the carboxyl-ate fragment. Each coordinating ligand bridges two Cd(II) atoms, thus forming polymeric chains running along the c-axis direction. The water mol-ecules of crystallization serve as donors for the weak inter-molecular O-H?O and O-H?Br hydrogen bonds that link adjacent polymeric chains, thus forming a three-dimensional structure. N-H?O and N-H?Br hydrogen bonds also occur.

SUBMITTER: Sathiskumar S

PROVIDER: S-EPMC4384587 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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Crystal structure of catena-poly[[cadmium(II)-di-μ2-bromido-μ2-l-proline-κ(2) O:O'] monohydrate].

Sathiskumar S S Balakrishnan T T Ramamurthi K K Thamotharan S S

Acta crystallographica. Section E, Crystallographic communications 20150124 Pt 2

In the title coordination polymer, {[CdBr2(C5H9NO2)]·H2O} n , the Cd(II) ion is coordinated by four bromido ligands and two carboxyl-ate oxygen atoms of two symmetry-related proline ligands, which exist in a zwitterionic form, in a distorted octa-hedral geometry. There is an intra-molecular N-H⋯O hydrogen bond between the amino group and the carboxyl-ate fragment. Each coordinating ligand bridges two Cd(II) atoms, thus forming polymeric chains running along the c-axis direction. The water mol-ec ...[more]

PMID: 25878823

Similar Datasets

Syntheses, crystal structures and thermal properties of catena-poly[cadmium(II)-di-μ-bromido-μ-pyridazine-κ2N1:N2] and catena-poly[cadmium(II)-di-μ-iodido-μ-pyridazine-κ2N1:N2]

Project description:In the crystal structures of the title compounds, the cadmium cations are octahedrally coordinated by four halide anions and two pyridazine ligands in a trans-CdX4N2 (X = Br, I) arrangement and are linked into chains by the halide anions and the pyridazine ligands. The reactions of cadmium bromide and cadmium iodide with pyridazine (C4H4N2) in ethanol under solvothermal conditions led to the formation of crystals of [CdBr2(pyridazine)]n (1) and [CdI2(pyridazine)]n (2), which were characterized by single-crystal X-ray diffraction. The asymmetric units of both compounds consist of a cadmium cation located on the intersection point of a twofold screw axis and a mirror plane (2/m), a halide anion that is located on a mirror plane and a pyridazine ligand, with all atoms occupying Wyckoff position 4e (mm2). These compounds are isotypic and consist of cadmium cations that are octahedrally coordinated by four halide anions and two pyridazine ligands and are linked into [100] chains by pairs of μ-1,1-bridging halide anions and bridging pyridazine ligands. In the crystals, the pyridazine ligands of neighboring chains are stacked onto each other, indicating π–π interactions. Larger amounts of pure samples can also be obtained by stirring at room-temperature, as proven by powder X-ray diffraction. Measurements using thermogravimetry and differential thermoanalysis (TG-DTA) reveal that upon heating all the pyridiazine ligands are removed in one step, which leads to the formation of CdBr2 or CdI2.

| S-EPMC10088319 | biostudies-literature

Crystal structure of catena-poly[[di-aqua-cadmium(II)]-μ-3,3'-(1,3-phenyl-ene)diacrylato].

Project description:In the crystal of the title polymeric complex, [Cd(C12H8O4)(H2O)2] n , the Cd(II) cation, located on a twofold rotation axis, is coordinated by two water mol-ecules and chelated by two phenyl-enediacrylate anions (mpda) in a distorted octa-hedral geometry. The mpda anions bridge the Cd(II) cations, forming helical chains propagating along the c-axis direction. The mpba anion has twofold symmetry with two benzene C atoms located on the twofold rotation axis. In the crystal, O-H⋯O hydrogen bonds link the polymeric helical chains into a three-dimensional supra-molecular architecture.

| S-EPMC4438799 | biostudies-literature

catena-Poly[[(4,4'-dimethyl-2,2'-bipyridine-?(2) N,N')cadmium]-di-?-bromido].

Project description:In the crystal of the title polymeric compound, [CdBr2(C12H12N2)] n , the Cd(II) cation is located on a twofold rotation axis and is six-coordinated in a distorted octa-hedral geometry formed by two N atoms from the 4,4'-dimethyl-2,2'-bipyridine ligand and by four bridging Br(-) anions. The bridging function of the Br(-) anions leads to a polymeric chain running along the c axis. Weak C-H?? inter-actions observed between adjacent chains are effective in the stabilization of the three-dimensional packing.

| S-EPMC3588747 | biostudies-literature

catena-Poly[[(5,5'-dimethyl-2,2'-bipyridine-?(2)N,N')cadmium]-di-?-bromido].

Project description:In the crystal of the title polymeric compound, [CdBr(2)(C(12)H(12)N(2))](n), the Cd(II) cation is located on a twofold rotation axis. The Cd(II) cation is six-coordinated in a distorted octa-hedral geometry formed by two N atoms from the 5,5'-dimethyl-2,2'-bipyridine ligand and four bridging Br(-) anions. The bridging function of the Br(-) anions leads to a polymeric chain running along the c axis.

| S-EPMC3379185 | biostudies-literature

Crystal structure of <i>catena</i>-poly[di-ammonium [di-?-oxalato-cuprate(II)]].

Project description:The structure of the title compound, {(NH4)2[Cu(C2O4)2]} n , at 100?K has monoclinic (P21/c) symmetry with the CuII atom on an inversion center. The compound has a polymeric structure due to long Cu?O inter-actions which create [Cu(C2O4)2] chains along the a axis. The structure also displays inter-molecular N-H?O hydrogen bonding, which links these chains into a three-dimensional network.

| S-EPMC5137607 | biostudies-literature

Crystal structure of catena-poly[1,3-di-benzyl-benzimidazolium [[chlorido-mercurate(II)]-di-?-chlorido]].

Project description:The asymmetric unit of the polymeric title compound, {(C21H19N2)[HgCl3]} n , comprises one-half of the cationic mol-ecule, the other half being generated by application of twofold rotation symmetry, one Hg and two Cl atoms. The Hg(II) atom, lying on a twofold rotation axis, exhibits a distorted triangular coordination environment and is surrounded by three Cl atoms with Hg-Cl distances in the range 2.359?(2)-2.4754?(13)?Å. Two additional longer distances [Hg?Cl = 3.104?(14)?Å] lead to the formation of polymeric [HgCl1/1Cl4/2](-) chains extending along [001]. The crystal packing can be described by cationic layers alternating parallel to (-110) with the anionic chains located between the layers. The packing is consolidated by ?-? stacking inter-actions between the benzene rings of the central benzimidazole entities, with centroid-to-centroid distances of 3.643?(3)?Å.

| S-EPMC4719861 | biostudies-literature

catena-Poly[[(2,9-dimethyl-1,10-phenanthroline-?(2)N,N')lead(II)]-di-?-bromido].

Project description:In the title compound, [PbBr(2)(C(14)H(12)N(2))](n), the Pb(II) atom lies on a twofold rotation axis. The N-heterocycle-chelated Pb(II) atom exists in a distorted octa-hedral geometry owing to two long Pb?Br inter-actions [2.9562?(5) and 3.2594?(5)?Å]. These result in a zigzag chain running along the c axis. The lone pair is stereochemically inactive.

| S-EPMC3379072 | biostudies-literature

catena-Poly[[bis-(pyrazine-2-carbox-amide-κN)mercury(II)]-di-μ-bromido].

Project description:In the crystal structure of the title compound, [HgBr(2)(C(5)H(5)N(3)O)(2)](n), the Hg(II) cation is located on an inversion center and is coordinated by two N atoms from the pyrazine rings and four bridging Br(-) anions in a distorted octa-hedral geometry. The Br(-) anions bridge the Hg(II) cations with significantly different Hg-Br bond distances of 2.4775 (8) and 3.1122 (8) Å, forming polymeric chains running along the a axis. Inter-molecular N-H⋯O and N-H⋯N hydrogen bonds are effective in the stabilization of the crystal structure.

| S-EPMC2979956 | biostudies-literature

catena-Poly[[?-bromido-(?-hydroxydi-2-pyridylmethano-lato-?N,O:O,N')dicopper(II)(Cu-Cu)]-di-?-bromido].

Project description:The title complex, [Cu(2)Br(3)(C(11)H(9)N(2)O(2))](n), was one of three isolated by slow evaporation of an acetonitrile reaction mixture of CuBr(2) with di-2-pyridyl ketone (1:1 molar ratio). The title complex contains a 2:1 metal-to-ligand ratio of copper(II) with the hydrated form of the ligand, di-2-pyridylmethane-diol. The two copper centers are bridged by a bromide ion and the alk-oxy O atom, and the Cu-Cu distance is 2.9801?(5)?Å. The dimeric units are further linked by bromide ions, leading to a two-dimensional extended bridged structure. O-H?O hydrogen bonds are present in the crystal structure.

| S-EPMC2960673 | biostudies-literature

Poly[bis(phenethyl-ammonium) [di-bromido-plumbate(II)]-di-μ-bromido]].

Project description:Crystals of the title compound, {(C(6)H(5)C(2)H(4)NH(3))(2)[PbBr(4)]}(n), were grown at room temperature from a solution in N,N-dimethyl-formamide (DMF) using nitro-methane as the poor solvent. This perovskite-type organic-inorganic hybrid compound consists of well ordered sheets of corner-sharing disordered PbBr(6) octa-hedra separated by bilayers of phenethyl-ammonium cations. The octa-hedra are rotated and tilted due to N-H⋯Br hydrogen bonds with the ammonium groups, generating a superstructure in the unit cell similar to that of the tetra-chloridoplumbate (C(6)H(5)C(2)H(4)NH(3))(2)[PbCl(4)].

| S-EPMC2970995 | biostudies-literature

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