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7-{4-[(1,3-Benzodioxol-5-yl)meth-yl]piperazin-1-yl}-1-cyclo-propyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carb-oxy-lic acid.

ABSTRACT: In the title structure, C(25)H(24)FN(3)O(5), a strong intra-molecular O-H?O hydrogen bond is present between the carb-oxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, mol-ecules are held together by weak C-H?O, C-H?F and ?-? [centroid-centroid distance 3.6080?(8)?Å] inter-actions. The 1,4-dihydro-quinoline ring and cyclo-propyl group are not in the same plane, making an inter-planar angle of 57.52?(8)°.

SUBMITTER: Wang S

PROVIDER: S-EPMC3394047 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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7-{4-[(1,3-Benzodioxol-5-yl)meth-yl]piperazin-1-yl}-1-cyclo-propyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carb-oxy-lic acid.

Wang Shuo S Shan Guangzhi G Guo Huiyuan H Liu Mingliang M

Acta crystallographica. Section E, Structure reports online 20120630 Pt 7

In the title structure, C(25)H(24)FN(3)O(5), a strong intra-molecular O-H⋯O hydrogen bond is present between the carb-oxy group at the 3-position and the carbonyl group at the 4-position. In the crystal, mol-ecules are held together by weak C-H⋯O, C-H⋯F and π-π [centroid-centroid distance 3.6080 (8) Å] inter-actions. The 1,4-dihydro-quinoline ring and cyclo-propyl group are not in the same plane, making an inter-planar angle of 57.52 (8)°. ...[more]

PMID: 22798912

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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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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].

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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.

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