Browse
Submit Data
Databases
API
Help

Dataset Information

8 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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].

ABSTRACT: 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.

SUBMITTER: Hong J

PROVIDER: S-EPMC2914913 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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

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

Bis(2-carboxybenzo-ato-?O)bis-[1-cyclo-propyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ato-?O,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 ?-? 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

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].

Project description: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.

| S-EPMC3009166 | biostudies-literature

Poly[bis-[μ-1-cyclo-propyl-6-fluoro-4-oxido-7-(1-piperazin-yl)-1,4-dihydro-quinoline-3-carboxyl-ato]nickel(II)].

Project description:In the title compound, [Ni(C(17)H(17)FN(3)O(3))(2)](n), the Ni(II) atom exists in a distorted trans-NiN(2)O(4) octa-hedral geometry defined by two monodentate N-bonded and two bidentate O,O-bonded 1-cyclo-propyl-6-fluoro-4-oxido-7-(1-piperazin-yl)-1,4-dihydro-quinoline-3-carboxyl-ate (ciprofloxacinium) monoanions. The extended two-dimensional structure is a square grid. The Ni atom lies on a center of inversion.

| S-EPMC2915111 | biostudies-literature

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

Project description:In the title compound, C(16)H(17)FN(2)O(4)·H(2)O, the dihedral angle between the heterocyclic ring and the benzene ring is 5.77 (9)°, that between the heterocycle and the ethoxy-carbonyl plane is 15.5 (1)°, and that between the heterocyclic ring and the cyclopropane ring is 67.75 (13)°. In the crystal structure, mol-ecules are linked into a ribbon-like structure along the c axis by N-H⋯O and O-H⋯O hydrogen bonds.

| S-EPMC2960450 | biostudies-literature

Tetra-aqua-bis(2-oxo-1,2-dihydro-quinoline-4-carboxyl-ato-κO)nickel(II).

Project description:In the title compound, [Ni(C(10)H(6)NO(3))(2)(H(2)O)(4)], the central Ni(II) atom is located on an inversion center and coordinated in a slightly distorted octa-hedral geometry by two O atoms from two 2-oxo-1,2-dihydro-quinoline-4-carboxyl-ate ligands and four water mol-ecules, all of which act as monodentate ligands. The crystal structure features an extensive network of inter-molecular hydrogen-bonding inter-actions (O-H⋯O and N-H⋯O) and offset face-to-face π-π stacking inter-actions [centroid-centroid distances = 3.525 (3) and 3.281 (5) Å].

| S-EPMC2960272 | biostudies-literature

4-(1-Cyclo-propyl-6-fluoro-4-oxo-1,4-dihydro-quinolin-7-yl)piperazin-1-ium 2,4,5-tricarb-oxy-benzene-1-carboxyl-ate monohydrate.

Project description:In the crystal of title compound, C(16)H(19)FN(3)O(+)·C(10)H(5)O(8) (-)·H(2)O, the water mol-ecule and the ions are connected by inter-molecular N-H⋯O and O-H⋯O hydrogen bonds and π-π stacking [centroid-centroid separation = 3.602 (1) Å] between the benzene ring and the pyridine ring, generating a three-dimensional supra-molecular structure.

| S-EPMC3297959 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data