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Crystal structure of catena-poly[[[tri-aqua-strontium]-di-μ2-glycinato] dibromide].

ABSTRACT: In the title coordination polymer, {[Sr(C2H5NO2)2(H2O)3]Br2} n , the Sr(2+) ion and one of the water mol-ecules are located on twofold rotation axes. The alkaline earth ion is nine-coordinated by three water O atoms and six O atoms of the carboxyl-ate groups of four glycine ligands, two in a chelating mode and two in a monodentate mode. The glycine mol-ecule exists in a zwitterionic form and bridges the cations into chains parallel to [001]. The Br(-) counter-anions are located between the chains. Inter-molecular hydrogen bonds are formed between the amino and carboxyl-ate groups of neighbouring glycine ligands, generating a head-to-tail sequence. Adjacent head-to-tail sequences are further inter-connected by inter-molecular N-H⋯Br hydrogen-bonding inter-actions into sheets parallel to (100). O-H⋯Br and O-H⋯O hydrogen bonds involving the coordinating water mol-ecules are also present, consolidating the three-dimensional hydrogen-bonding network.

SUBMITTER: Revathi P

PROVIDER: S-EPMC4518974 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structure of poly[[μ2-di-aqua-di-aqua-μ2-l-proline-κ(2) O:O'-strontium] dibromide].

Project description:In the title coordination polymer, {[Sr(C5H9NO2)(H2O)4]Br2} n , the proline mol-ecule exists in a zwitterionic form with one of the ring C atoms disordered over two sites [site-occupancy factors = 0.57 (6):0.43 (6)]. The Sr(II) ion is nine-coordinated by six water O atoms, two monodentate and two μ2-bridging, and three carboxyl-ate O atoms of the proline ligands, with two bridging [Sr-O range = 2.524 (4)-2.800 (5) Å]. In the crystal, there is no direct inter-action between the proline mol-ecules. However, the proline and water mol-ecules associate with the bromide counter-anions through a number of inter-molecular O-H⋯Br and N-H⋯Br hydrogen-bonding inter-actions, giving a three-dimensional supra-molecular structure.

| S-EPMC4647404 | biostudies-literature

Crystal structure of catena-poly[[[di-aqua-bis-(2,4,6-tri-methyl-benzoato-κO)cobalt(II)]-μ-aqua-κ2O:O] dihydrate].

Project description:The asymmetric unit of the title one-dimensional polymeric compound, {[Co(C10H11O2)2(H2O)3]·2H2O} n , contains one CoII cation situated on a centre of inversion, one-half of a coordinating water mol-ecule, one 2,4,6-tri-methyl-benzoate (TMB) anion together with one coordinating and one non-coordinating water mol-ecule; the TMB anion acts as a monodentate ligand. In the anion, the carboxyl-ate group is twisted away from the attached benzene ring by 84.9 (2)°. The CoII atom is coordinated by two TMB anions and two water mol-ecules in the basal plane, while another water mol-ecule bridges the CoII atoms in the axial directions, forming polymeric chains running along [001]. The coordination environment for the CoII cation is a slightly distorted octa-hedron. The coordinating and bridging water mol-ecules link to the carboxyl-ate groups via intra- and inter-molecular O-H⋯O hydrogen bonds, enclosing S(6) ring motifs, while the coordinating, bridging and non-coordinating water mol-ecules link to the carboxyl-ate groups and the coordinating water mol-ecules link to the non-coordinating water mol-ecules via O-H⋯O hydrogen bonds, enclosing R22(8) and R33(8) ring motifs. Weak C-H⋯O and C-H⋯π inter-actions may further stabilize the crystal structure.

| S-EPMC5418789 | biostudies-literature

Crystal structure of di-aqua-(μ2-tri-ethyl-ene-tetra-minehexa-acetato)-dizinc tetra-hydrate.

Project description:The reaction of ZnO and tri-ethyl-ene-tetra-minehexaacetic acid (H6TTHA) in aqueous solution after refluxing yields the binuclear title compound, [Zn2(C18H26N4O12)(H2O)2]·4H2O. There is a centre of symmetry in the [Zn2(H2TTHA)(H2O)2] mol-ecule in the crystalline state. Both Zn(II) ions are octahedrally surrounded and bound by an N2O3 donor set from the H2TTHA(4-) anion and a water mol-ecule; the N atoms are cis and the water mol-ecule is trans to an N atom. The Zn⋯Zn separation is 7.562 (1) Å. An intra-molecular C-H⋯O inter-action is observed and both carboxyl-ate H atoms are disordered over two adjacent sites. In the crystal, the components are linked by O-H⋯O and C-H⋯O hydrogen bonds generating a three-dimensonal network.

| S-EPMC4350722 | biostudies-literature

catena-Poly[[tri-aqua-magnesium]-?2-malonato].

Project description:In the title compound, [Mg(C3H2O4)(H2O)3] n , the metal atom is in an octa-hedral environment. The octa-hedra are connected by malonate anions, forming chains along the c-axis direction. O-H?O hydrogen bonds link these chains into a three-dimensional network.

| S-EPMC3914059 | biostudies-literature

Crystal structure of catena-poly[[[(2-eth-oxy-pyrazine-κN)copper(I)]-di-μ2-cyanido] [copper(I)-μ2-cyanido]].

Project description:In the asymmetric unit of the title coordination compound, {[Cu(CN)(C4H3OC2H5N2)][Cu(CN)]} n , there are two Cu atoms with different coordination environments. One CuI ion is coordinated in a triangular coordination geometry by the N atom of the 2-eth-oxy-pyrazine mol-ecule and by two bridging cyanide ligands, equally disordered over two sites exchanging C and N atoms, thus forming polymeric chains parallel to the c axis. The other Cu atom is connected to two bridging cyanide groups disordered over two sites with an occupancy of 0.5 for each C and N atom, and forming an almost linear polymeric chain parallel to the b axis. In the crystal, the two types of chain, which are orthogonal to each other, are connected by cuprophilic Cu⋯Cu inter-actions [2.7958 (13) Å], forming two-dimensional metal-organic coordination layers parallel to the bc plane. The coordination framework is further stabilized by weak long-range (electrostatic type) C-H⋯π inter-actions between cyano groups and 2-eth-oxy-pyrazine rings.

| S-EPMC6829724 | biostudies-literature

Crystal structure of poly[[di-μ2-aqua-aqua-sodium] 4-amino-3,5,6-tri-chloro-pyridine-2-carboxyl-ate trihydrate], the sodium salt of the herbicide picloram.

Project description:In the structure of the title complex, {[Na(H2O)3](C6H2Cl3N2O2)·3H2O} n , the sodium salt of the herbicide picloram, the cation adopts a polymeric chain structure, based on μ2-aqua-bridged NaO5 trigonal-bipyramidal complex units which have, in addition, a singly bonded water mol-ecule. Each of the bridges within the chain, which extends parallel to the a axis, is centrosymmetric, with Na⋯Na separations of 3.4807 (16) and 3.5109 (16) Å. In the crystal, there are three water mol-ecules of solvation and these, as well as the coordinating water mol-ecules and the amino group of the 4-amino-3,5,6-tri-chloro-picolinate anion, are involved in extensive inter-species hydrogen-bonding inter-actions with carboxyl and water O atoms, as well as the pyridine N atom. Among these associations is a centrosymmetric cyclic tetra-water R 4 (4)(8) motif, resulting in an overall three-dimensional structure.

| S-EPMC4571359 | biostudies-literature

Crystal structure of poly[[di-aqua-tetra-μ2-cyanido-iron(II)platinum(II)] acetone disolvate].

Project description:In the title polymeric complex, {[FePt(CN)4(H2O)2]·2C3H6O} n , the FeII cation has an octa-hedral [FeN4O2] geometry being coordinated by two water mol-ecules and four cyanide anions. The Pt cation is located on an inversion centre and has a square-planar coordination environment formed by four cyanide groups. The tetra-cyano-platinate anions bridge the FeII cations to form infinite two-dimensional layers that propagate in the bc plane. Two guest mol-ecules of acetone per FeII are located between the layers. These guest acetone mol-ecules inter-act with the coordinated water mol-ecules by O-H⋯O hydrogen bonds.

| S-EPMC6775733 | biostudies-literature

Crystal structure of catena-poly[[potassium-tri-?-di-methyl-acetamide-?(6) O:O] iodide].

Project description:The structure of catena-poly[[potassium-tri-?-di-methyl-acetamide-?(6) O:O] iodide], {[K(C4H9NO)3]I} n , at 120?K has trigonal (P-3) symmetry. The structure adopts a linear chain motif parallel to the crystallographic c axis. Two crystallographically independent K(+) cations are present in the asymmetric unit located on threefold rotoinversion axes at [0, 0, 0] and [0, 0, 1/2] and are bridged by the O atoms of the acetamide moiety. This is an example of a rare ?2-bridging mode for di-methyl-acetamide O atoms. The iodide counter-ion resides on a threefold rotation axis in the channel formed by the [K(C4H9NO)](+) chains.

| S-EPMC4257214 | biostudies-literature

catena-Poly[[aqua-(ethyl anilinophospho-nato-?O)sodium(I)]-di-?-aqua].

Project description:In the title compound, [Na(C(8)H(11)NO(3)P)(H(2)O)(3)](n), the sodium cation is octa-hedrally coordinated by five water mol-ecules and one O-bonded ethyl anilinophospho-nate anion. Four of the water mol-ecules bridge to adjacent sodium ions, resulting in an infinite chain of edge-sharing NaO(6) polyhedra. A network of N-H?O and O-H?O hydrogen bonds helps to stabilize the crystal structure.

| S-EPMC2960560 | biostudies-literature

catena-Poly[[tetra-aqua-copper(II)]-?-tri-thionato-?O:O'].

Project description:The title supra-molecular polymer, [Cu(S(3)O(6))(H(2)O)(4)](n), features a tetra-gonally distorted octa-hedral Cu(II) centre within an O(6) donor set with the longer Cu-O bonds linking the dication and the trithio-nate dianion. Extensive O-H?O hydrogen-bonding inter-actions connect the supra-molecular chains into a three-dimensional network.

| S-EPMC2972059 | biostudies-literature

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