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

ABSTRACT: 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].

SUBMITTER: Wang DC

PROVIDER: S-EPMC2959496 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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

Wang De-Cai DC Huang Xin-Ming XM Liu Yan-Ping YP Tang Chun-Lei CL

Acta crystallographica. Section E, Structure reports online 20081031 Pt 11

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]. ...[more]

PMID: 21581071

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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).

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

Project description:In the title compound, C(15)H(12)ClFN(2)O(5), mol-ecules are packed in the crystal lattice in a parallel fashion sustained by various C-H⋯O [C⋯O = 3.065 (5)-3.537 (5) Å] and C-H⋯Cl [3.431 (5)-3.735 (4) Å] inter-actions.

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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.

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Bis[1-cyclo-propyl-6-fluoro-4-oxo-7-(1-piperazin-4-ium-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ate-?O,O]bis-(nitrato-?O)copper(II).

Project description:In the title complex, [Cu(NO(3))(2)(C(17)H(18)FN(3)O(3))(2)], the Cu(II) ion is located on an inversion center. It exhibits a distorted octa-hedral geometry, being coordinated by six O atoms, four from two ciprofloxacin ligand mol-ecules (L), which act as bidentate ligands, and two from two nitrate anions. In the ligand, the piperazine ring has a chair conformation and the quinoline system is essentially planar [maximum deviation = 0.097?(2)?Å]. One of the nitrate O atoms is disordered over two positions [occupancy ratio = 0.51?(6):0.49?(6)]. There is a C-H?F inter-action in the complex. In the crystal, mol-ecules are linked via N-H?O hydrogen bonds generating a two-dimensional network lying parallel to (111). The presence of C-H?O inter-actions leads to the formation of a three-dimensional structure. The title complex was prepared by hydro-thermal synthesis, and the hexa-hydrate form of this complex, synthesized by conventional methods, has been reported previously [Hernandez-Gil et al. (2009 ?). Polyhedron, 28, 138-144].

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Redetermination and invariom refinement of 1-cyclo-propyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydro-quinoline-3-carboxyl-ate hexa-hydrate at 120 K.

Project description:The structure of the title compound, C(17)H(18)FN(3)O(3)·6H(2)O, has been redetermined at 120 K. An invariom refinement, a structural refinement using aspherical scattering factors from theoretically predicted multipole population parameters, yields accurate geometry and anisotropic displacement parameters, including hydrogen-bonding parameters. All potential hydrogen-bond donors and acceptors are involved in hydrogen bonding, forming an intricate three-dimensional network of N-H⋯O and O-H⋯O bonds.

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Ethyl 4-oxo-8-trifluoro-methyl-1,4-dihydro-quinoline-3-carboxyl-ate.

Project description:The asymmetric unit of the title compound, C13H10F3NO3, contains two independent mol-ecules with similar conformations. In the crystal, N-H?O hydrogen bonds link alternating independent mol-ecules into chains in [-110]. In the chain, the quinoline planes of the independent mol-ecules are almost perpendicular to each other, forming a dihedral angle of 89.8?(1)°. ?-? inter-actions between the aromatic rings of quinoline bicycles related by inversion centres [for two independent centrosymmetric dimers, the shortest centroid-centroid distances are 3.495?(1) and 3.603?(1)?Å] link the hydrogen-bonded chains into layers parallel to (110). Weak C-H?F and C-H?O inter-actions further consolidate the crystal packing.

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Propyl 3-oxo-2,3-dihydro-1,2-benzothia-zole-2-carboxyl-ate.

Project description:The title compound, C(11)H(11)NO(3)S, was synthesized by the reaction of benzo[d]isothia-zol-3(2H)-one with propyl carbono-chloridate in toluene. The benzoisothiazolone ring system is approximately planar with a maximum deviation from the mean plane of 0.0226 (14) Å for the N atom. Weak inter-molecular C-H⋯O hydrogen bonding occurs in the crystal structure.

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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

Diethyl 4-oxo-4H-[1,4'-bi-quinoline]-3,3'-di-carboxyl-ate.

Project description:In the title mol-ecule, C24H20N2O5, the quinoline and quinolinone moieties are practically perpendicular to each other, forming a dihedral angle of 89.06?(3)°. In the crystal, each moiety forms coplanar ?-stacked couples with the respective inversion equivalents. The quinolinone moieties overlap with their benzene rings with a centroid-centroid separation of 3.641?(2)?Å, whereas the quinoline moieties overlap with their pyridine rings with a separation of 3.592?(2)?Å. The resulting supra-molecular chains propargate along [101].

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Ethyl 1-(2,4-dichloro-benz-yl)-4-oxo-7-trifluoro-meth-yl-1,4-dihydro-quinoline-3-carboxyl-ate.

Project description:In the title compound, C(20)H(14)Cl(2)F(3)NO(3), the trifluromethyl group is disordered over two sets of sites in a 0.784?(10):0.216?(10) ratio. The quinoline ring system is essentially planar with a maximum deviation of 0.058?(2)?Å for the N atom and forms dihedral angles of 89.23?(11) and 8.13?(17)°, respectively with the mean planes of the benzene ring and the carboxyl-ate group. In the crystal, pairs of weak C-H?O and C-H?F hydrogen bonds link mol-ecules into centrosymmetric dimers. The crystal structure is further stabilized by weak ?-? [centroid-centroid distance = 3.624?(2)?Å] inter-actions.

| S-EPMC3275192 | biostudies-literature

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