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Poly[[[[1-ethyl-6,8-difluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ato]cadmium]-?-benzene-1,4-dicarboxyl-ato] trihydrate].

ABSTRACT: In the title layered coordination polymer, {[Cd(C(17)H(18)F(2)N(3)O(3))(C(8)H(4)O(4))]·3H(2)O}(n), the Cd(II) atom exhibits a very distorted CdO(6) octa-hedral geometry defined by one O(3),O(4)-bidentate 1-ethyl-6,8-difluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate (lome) ligand, one O,O'-bidentate benzene-1,4-dicarboxyl-ate (bdc) dianion and two O-monodentate bdc dianions. Both the bdc species in the asymmetric unit are completed by crystallographic inversion symmetry. The bridging bdc dianions link the cadmium nodes into a recta-ngular grid lying parallel to (01). A network of N-H?O and O-H?O hydrogen bonds helps to establish the packing.

SUBMITTER: Kang XP

PROVIDER: S-EPMC3009166 | biostudies-literature | 2010 Oct

REPOSITORIES: biostudies-literature

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Poly[[[[1-ethyl-6,8-difluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ato]cadmium]-μ-benzene-1,4-dicarboxyl-ato] trihydrate].

Kang Xin-Ping XP An Zhe Z Kasimu Rena R

Acta crystallographica. Section E, Structure reports online 20101031 Pt 11

In the title layered coordination polymer, {[Cd(C(17)H(18)F(2)N(3)O(3))(C(8)H(4)O(4))]·3H(2)O}(n), the Cd(II) atom exhibits a very distorted CdO(6) octa-hedral geometry defined by one O(3),O(4)-bidentate 1-ethyl-6,8-difluoro-7-(3-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate (lome) ligand, one O,O'-bidentate benzene-1,4-dicarboxyl-ate (bdc) dianion and two O-monodentate bdc dianions. Both the bdc species in the asymmetric unit are completed by crystallographic inversion symme ...[more]

PMID: 21588904

Similar Datasets

catena-Poly[[[(1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ato-?O,O)copper(II)]-?-1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ato-?N:O,O] tetra-hydrate].

Project description:In the title compound, {[Cu(C(16)H(17)FN(3)O(3))(2)]·4H(2)O}(n), the Cu(II) atom is bonded to two O,O'-bidentate 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ate (norf) monoanions and a symmetry-generated N-bonded norf anion, resulting in a distorted square-pyramidal coordination environ-ment with the N atom occupying the apical site. The bridging norf anion results in one-dimensional chains propogating along [010]. A network of O-H?O and N-H?O hydrogen bonds helps to establish the crystal structure.

| S-EPMC2960715 | biostudies-literature

Bis[1-ethyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ato-?O,O]-copper(II).

Project description:In the title compound, [Cu(C(17)H(19)FN(3)O(3))(2)], the Cu(II) atom (site symmetry ) exhibits a slightly distorted CuO(4) square-planar geometry defined by two bidentate O,O'-bonded 1-ethyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate (perfloxacinate) anions.

| S-EPMC2968697 | biostudies-literature

Aqua-bis[1-ethyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ato]zinc(II) dihydrate.

Project description:The title compound, [Zn(C(17)H(19)FN(3)O(3))(2)(H(2)O)]·2H(2)O or [Zn(pef)(2)(H(2)O)]·2H(2)O, where pef is 1-ethyl-6-fluoro-7-(4-methyl-piperazin-4-yl)-4-oxo-1,4-dihydro-quinoline-3-carb-oxyl-ate, was synthesized under hydro-thermal conditions. The Zn(II) atom exhibits a distorted ZnO(5) square-pyramidal geometry defined by two bidentate O,O-bonded pef anions in the basal plane and one water mol-ecule in the apical position. A network of O-H⋯O and O-H⋯N hydrogen bonds is formed between the Zn(II) complexes and the uncoordinated water mol-ecules.

| S-EPMC2960459 | biostudies-literature

Ethyl 8-chloro-1-cyclo-propyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate.

Project description:In the mol-ecule of the title compound, C(15)H(12)ClF(2)NO(3), the quinoline ring system is not planar, the dihedral angle between the pyridine and benzene rings being 3.55 (8)°. In the crystal, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into layers parallel to (101).

| S-EPMC3247378 | biostudies-literature

Poly[[[(1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ato)manganese(II)]-μ(3)-4,4'-oxydibenzoato] monohydrate].

Project description:In the title compound, {[Mn(C(16)H(18)N(3)O(3))(C(14)H(8)O(5))]·H(2)O}(n), the unique Mn(II) ion is coordinated by two O atoms from a chelating 1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ate ligand and three O atoms from three 4,4'-oxydibenzoate ligands, forming a distorted square-pyramidal coordination environment. In the crystal structure, centrosymmetric dinuclear manganese units are linked via 4,4'-oxydibenzoate ligands into one-dimensional chains; these chains are, in turn, connected via inter-molecular N-H⋯O and O-H⋯O hydrogen bonds to form a two-dimensional supra-molecular network. The O atom of the solvent water mol-ecule is disordered over two sites with equal occupancies; the attached H atoms are common to both sites.

| S-EPMC2914913 | biostudies-literature

Bis[(2R,6S)-4-(5-amino-3-carb-oxy-1-cyclo-propyl-6,8-difluoro-4-oxo-1,4-dihydro-quinolin-7-yl)-2,6-dimethyl-piperazin-1-ium] sulfate penta-hydrate.

Project description:The title compound, C(19)H(23)F(2)N(4)O(3) (+)·0.5SO(4) (2-)·2.5H(2)O, an anti-bacterial fluoro-quinolone, crystallized as a racemic twin (major twin component = 0.633) in the chiral space group P1. The asymmetric unit contains two sparfloxacinium cations, one sulfate anion and five mol-ecules of water of solvation. The bond lengths and angles of both cations are almost identical. The quinoline ring systems in the cations are essentially planar, the mean deviations from the best plane being 0.045 (2) and 0.054 (2) Å and make π-π inter-actions with each other [centroid-centroid distances of 3.692 (4) Å and 3.744 (4) Å]. The crystal structure features inter-molecular O-H⋯O, O-H⋯S, N(+)-H⋯O, N(+)-H⋯S and N-H⋯O hydrogen bonds together with intra-molecular O-H⋯O and N-H⋯O hydrogen bonds. As a result, a three-dimensional supra-molecular structure is observed.

| S-EPMC3239011 | biostudies-literature

Ethyl 1-cyclo-propyl-6,7-difluoro-8-meth-oxy-4-oxo-1,4-dihydro-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(16)H(15)F(2)NO(4), the dihedral angle between the three-membered ring and the quinoline ring system is 64.3 (3)°. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules, forming a column running along [101].

| S-EPMC2959496 | biostudies-literature

Butane-1,4-diammonium bis-(pyridine-2,6-dicarboxyl-ato)cuprate(II) trihydrate.

Project description:In the title compound, (C(4)H(14)N(2))[Cu(C(7)H(3)NO(4))(2)]·3H(2)O or (bdaH(2))[Cu(pydc)(2)]·3H(2)O (where bda is butane-1,4-diamine and pydcH(2) is pyridine-2,6-dicarboxylic acid), the Cu(II) atom is coordinated by four O atoms [Cu-O = 2.0557 (16)-2.3194 (16) Å] and two N atoms [Cu-N = 1.9185 (18) and 1.9638 (18) Å] from two chelating rings of the pydc(2-) anions, which act as tridentate ligands. The geometry of the resulting CuN(2)O(4) coordination can be described as distorted octa-hedral. The the two pydc(2-) fragments are almost perpendicular to one another [77.51 (11)°]. To balance the charges, two centrosymmetric protonated butane-1,4-diammonium, (bdaH(2))(2+) cations are present. In the crystal structure, extensive O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds [D⋯A = 2.720 (2)-3.446 (3) Å], ion pairing, C-O⋯π [O⋯π = 3.099 (2) Å] and π-π stacking inter-actions between the pydc(2-) rings [centroid-centroid distance = 3.5334 (15) Å] contribute to the formation of a three-dimensional supra-molecular structure.

| S-EPMC2961264 | biostudies-literature

Bis(2-carboxybenzo-ato-κO)bis-[1-cyclo-propyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ato-κO,O]manganese(II) dihydrate.

Project description:The title compound, [Mn(C(17)H(18)FN(3)O(3))(2)(C(8)H(5)O(4))(2)]·2H(2)O or [Mn(cfH)(2)(1,2-Hbdc)(2)]·2H(2)O (cfH = ciprofloxacin = 1-cyclo-propyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazin-yl)-3-quinoline carb-oxy-lic acid, 1,2-bdc = benzene-1,2-dicarboxyl-ate), has been prepared under hydro-thermal conditions. The Mn(2+) atom, located on an inversion centre, exhibits a distorted octa-hedral geometry, coordinated by four O atoms from two symmetry-related zwitterionic ciprofloxacin ligands in the equatorial positions and two O atoms of two 1,2-Hbdc ligands in the axial positions. The complex mol-ecules are linked into a two-dimensional network through N-H⋯O and OW-H⋯O hydrogen bonds. A strong intramolecular hydrogen bond between the carboxyl/carboxylate groups of the 1,2-Hbdc anion is also present. The layers are further extended through off-set aromatic π-π stacking inter-actions of cfH groups [centroid-centroid distance of 3.657 (2) Å] into the final three-dimensional supra-molecular arrays.

| S-EPMC3089319 | biostudies-literature

catena-Poly[[diaqua-[1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ato-?O,O']nickel(II)]-?-4,4'-oxydibenzoato-?O:O'].

Project description:In the title compound, [Ni(C(16)H(18)FN(3)O(3))(C(14)H(8)O(5))(H(2)O)(2)](n), the Ni(II) atom exhibits a distorted octa-hedral geometry that is defined by four O atoms and two water mol-ecules. Ni atoms are connected via the 4,4'-oxydibenzoate anions into a one-dimensional chain running along the crystallographic [30] direction. In the crystal structure, the one-dimensional chains are connected via N-H?O and O-H?O hydrogen bonding to form a three-dimensional supra-molecular network.

| S-EPMC2914909 | biostudies-literature

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