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Poly[μ3-aqua-aqua-μ5-(4-nitro-benzoato)-caesium].

ABSTRACT: In the structure of the title complex, [Cs(C7H4NO2)(H2O)2] n , the caesium salt of 4-nitro-benzoic acid, the irregular CsO9 coordination sphere comprises three bridging nitro O-atom donors, a bidentate carboxyl-ate O,O'-chelate inter-action, a triple-bridging water mol-ecule and a monodentate water mol-ecule. A three-dimensional framework polymer is generated, within which there are water-carboxyl-ate O-H⋯O and water-water O-H⋯O hydrogen-bonding inter-actions.

SUBMITTER: Smith G

PROVIDER: S-EPMC3884998 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Poly[?(3)-aqua-aqua(?(3)-3,5-dinitro-benzoato-?O(1):O(3):O(5))caesium].

Project description:In the structure of the title complex, [Cs(C(7)H(3)N(2)O(6))(H(2)O)(2)](n), the Cs salt of 3,5-dinitro-benzoic acid, the metal complex centres have have irregular CsO(8) coordination, comprising two water mol-ecules (one triply bridging and the other monodentate) and four O-atom donors from two nitro groups and one bridging carboxyl-ate O-atom donor from the ligand. Intra-unit O-H?O hydrogen-bonding inter-actions involving both water mol-ecules are observed in the three-dimensional polymeric complex structure.

| S-EPMC3470131 | biostudies-literature

Poly[bis-(?-2-amino-4-nitro-benzoato)di-?-aqua-dirubidium].

Project description:In the structure of the title salt, [Rb2(C7H5N2O4)2(H2O)2] n , the asymmetric unit comprises two independent and different seven-coordinate Rb(+) cations, one forming an RbO7 polyhedron, the other a RbO6N polyhedron, each of which is considerably distorted. The RbO7 polyhedron comprises bridging O-atom donors from two water mol-ecules, three carboxyl-ate groups, and two nitro groups. The RbO6N polyhedron comprises the two bridging water mol-ecules, one monodentate amine N-atom donor, one carboxyl O-atom donor and three O-atom donors from nitro groups (one from the chelate bridge). The extension of the dinuclear unit gives a three-dimensional polymeric structure which is stabilized by both intra- and inter-molecular amine N-H?O and water O-H?O hydrogen bonds to carboxyl and water O-atom acceptors, as well as a number of inter-ring ?-? inter-actions [minimum centroid-centroid separation = 3.364?(2)?Å]. The title salt is isostructural with the analogous caesium salt.

| S-EPMC4011243 | biostudies-literature

Poly[aqua-(?(3)-2-hy-droxy-5-nitro-benzoato-?O:O:O)rubidium].

Project description:In the structure of title compound, [Rb(C(7)H(4)NO(5))(H(2)O)](n), the centrosymmetric cyclic dimeric repeating unit comprises two irregular RbO(4) complex centres bridged by the carboxyl-ate groups of the 5-nitro-salicylate ligands. The coordination about each Rb atom is completed by a monodentate water mol-ecule and a phenolic O-atom donor which gives a bridging extension [Rb-O range = 3.116?(7)-3.135?(5)?Å]. The polymeric structure is stabilized by inter-molecular water O-H?O(carboxyl-ate) hydrogen bonds and weak inter-ring ?-? inter-actions [minimum ring centroid separation = 3.620?(4)?Å]. An intramolecular O-H?O hydrogen bond between phenol and carboxylate groups is also present.

| S-EPMC3201352 | biostudies-literature

Poly[di-?-aqua-bis-(?-2-amino-4-nitro-benzoato)dicaesium].

Project description:In the structure of title compound, [Cs(2)(C(7)H(5)N(2)O(4))(2)(H(2)O)(2)](n), the asymmetric unit contains two independent Cs atoms comprising different coordination polyhedra. One is nine-coordinate, the other seven-coordinate, both having irregular configurations. The CsO(9) coordination polyhedron comprises O-atom donors from three bridging water mol-ecules, one of which is doubly bridging, three from carboxyl-ate groups, and three from nitro groups, of which two are bidentate chelate bridging. The CsO(6)N coordination polyhedron comprises the two bridging water mol-ecules, one amine N-atom donor, one carboxyl-ate O-atom donor and four O-atom donors from nitro groups (two from the chelate bridges). The extension of the dimeric unit gives a three-dimensional polymeric structure, which is stabilized by both intra- and inter-molecular amine N-H?O and water O-H?O hydrogen bonds to carboxyl-ate O-atom acceptors, as well as inter-ring ?-? inter-actions [minimum ring centroid-centroid separation = 3.4172?(15)?Å].

| S-EPMC3212135 | biostudies-other

Di-μ-aqua-bis-[aqua-(2,2'-bi-pyridine)(4-nitro-benzoato)cobalt(II)] bis-(4-nitro-benzoate).

Project description:The title compound, [Co2(C7H4NO4)2(C10H8N2)2(H2O)4](C7H4NO4)2, consists of a centrosymmetric bimetallic complex charge-balanced by free 4-nitro-benzoate anions. The CoII ion exhibits a distorted cis-CoN2O4 octa-hedral coordination environment and the Co⋯Co separation is 3.326 (2) Å. In the crystal, the dications and anions are linked by O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC9462235 | biostudies-literature

catena-Poly[[aqua-(2-iodo-benzoato-?O)cobalt(II)]-?-aqua-?-2-iodo-benzoato-?(2)O:O'].

Project description:The asymmetric unit of the polymeric title compound, [Co(C(7)H(4)IO(2))(2)(H(2)O)(2)](n), contains one Co(II) cation, two iodo-benzoate anions and two water mol-ecules. One iodo-benzoate anion and one water mol-ecule bridge adjacent Co cations, forming a polymeric chain running along the a axis, while the other iodo-benzoate anion and water mol-ecule coordinate in a monodentate manner to the Co(II) cation, completing the slightly distorted octa-hedral geometry. In the two independent anionic ligands, the carboxyl-ate groups are twisted away from the attached benzene rings by 51.38?(18) and 39.89?(11)°, and the two benzene rings are nearly perpendicular to each other with a dihedral angle of 86.09?(10)°. Intra-molecular O-H?O hydrogen bonds between coordinating water mol-ecules and adjacent carboxyl-ate O atoms help to stabilize the mol-ecular structure. In the crystal, weak C-H?O hydrogen bonds link the polymeric chains into a three-dimentional supra-molecular network.

| S-EPMC3344342 | biostudies-literature

Poly[μ-aqua-μ5-[2-(2,3,6-tri-chloro-phenyl)acetato]-caesium].

Project description:In the structure of the title complex, [Cs(C8H4Cl3O2)(H2O)] n , the caesium salt of the commercial herbicide fenac [(2,3,6-tri-chloro-phen-yl)acetic acid], the irregular eight-coordination about Cs(+) comprises a bidentate O:Cl-chelate inter-action involving a carboxyl-ate-O atom and an ortho-related ring-substituted Cl atom, which is also bridging, a triple-bridging carboxyl-ate-O atom and a bridging water mol-ecule. A two-dimensional polymer is generated, lying parallel to (100), within which there are water-carboxyl-ate O-H⋯O hy-dro-gen-bonding inter-actions.

| S-EPMC3884976 | biostudies-literature

Poly[(μ3-3,5-di-nitro-benzoato-κ(3) O (1):O (1'):O (3))(μ2-hydroxido-κ(2) O:O)copper(II)].

Project description:The title complex, [Cu{μ3-O2CC6H3(NO2)2-3,5}(μ-OH)] n , features zigzag chains in which successive pairs of Cu(II) atoms are connected by OH bridges and bidentate carboxyl-ate ligands, leading to six-membered Cu(O)(OCO)Cu rings. The zigzag chains are connected into a three-dimensional architecture by Cu-O(nitro) bonds. The coordination geometry of the Cu(II) atom is square-pyramidal, with the axial position occupied by the nitro O atom, which forms the longer Cu-O bond. Bifurcated hy-droxy-nitro O-H⋯O hydrogen bonds contribute to the stability of the crystal structure.

| S-EPMC3998500 | biostudies-literature

Poly[[hexa-aqua-bis-(μ3-pyrimidine-4,6-dicarboxyl-ato)dicalcium] dihydrate].

Project description:The polymeric structure of the title compound, {[Ca2(C6H2N2O4)2(H2O)6]·2H2O} n , is built up of mol-ecular layers composed of Ca(II) ions bridged by both ligand N and O atoms with one of the O atoms being bis-monodentate. Two adjacent Ca(II) ions are bridged by these O atoms, forming a centrosymmetric dimer which is the building unit of the structure. The dimers are nodes of a cross-linked mol-ecular layer parallel to (101). The Ca(II) ion is coordinated by two bidentate ligands, one monodentate ligand and three water mol-ecules in the form of a distorted polyhedron with a coordination number of eight. Solvate water mol-ecules located between adjacent layers participate as donors and acceptors in a system of hydrogen bonds in which coordinating water mol-ecules also act as donors and non-coordinating carboxyl-ate O atoms act as acceptors.

| S-EPMC3588738 | biostudies-literature

Poly[μ-aqua-di-μ-benzoato-lead(II)].

Project description:The reaction of lead(II) nitrate and benzoic acid in aqueous solution yields the title polymer, [Pb(C(7)H(5)O(2))(2)(H(2)O)](n). The asymmetric unit contains one Pb(II) ion, two benzoate ligands and one water mol-ecule. The Pb-O bond distances are in the range 2.494 (4)-2.735 (4) Å. The Pb⋯Pb distance is 4.0683 (4) Å, indicating an insignificant metal-metal inter-action. The Pb(II) atom has a distorted penta-gonal-bipyramidal geometry chelated by two carboxyl-ate O atoms. The Pb atoms are bridged through a coordinating water mol-ecule and two carboxyl-ate O atoms from another two benzoate ligands, giving an infinite three-dimensional supra-molecular structure. O-H⋯O hydrogen-bonding inter-actions involved the coordinating water and carboxyl-ate O atoms enhance the stability of the supra-molecular arrangement.

| S-EPMC2977498 | biostudies-literature

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