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4-(3-Carb-oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 4-carb-oxy-benzoate-benzene-1,4-dicarb-oxy-lic acid (2/1).

ABSTRACT: In the title compound, C(16)H(19)FN(3)O(3) (+)·C(8)H(5)O(4) (-)·0.5C(8)H(6)O(4), the benzene-1,4-dicarb-oxy-lic acid mol-ecule is located on a centre of symmetry. In the crystal, the mol-ecules and ions are connected by inter-molecular C-H?O and O-H?O hydrogen bonds and ?-? stacking inter-actions [with a centroid-centroid distance of 3.402?(2)?Å], generating a three-dimensional supra-molecular structure.

SUBMITTER: Yan SW

PROVIDER: S-EPMC3099834 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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4-(3-Carb-oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 4-carb-oxy-benzoate-benzene-1,4-dicarb-oxy-lic acid (2/1).

Yan Shi-Wei SW Chen Hai-Yan HY Zhang Guang-Ju GJ Liao Qin Q Liang Yan-Chen YC

Acta crystallographica. Section E, Structure reports online 20110319 Pt 4

In the title compound, C(16)H(19)FN(3)O(3) (+)·C(8)H(5)O(4) (-)·0.5C(8)H(6)O(4), the benzene-1,4-dicarb-oxy-lic acid mol-ecule is located on a centre of symmetry. In the crystal, the mol-ecules and ions are connected by inter-molecular C-H⋯O and O-H⋯O hydrogen bonds and π-π stacking inter-actions [with a centroid-centroid distance of 3.402 (2) Å], generating a three-dimensional supra-molecular structure. ...[more]

PMID: 21754183

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Bis[8-ethyl-5-oxo-2-(piperazin-4-ium-1-yl)-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb-oxy-lic acid] 2,5-dicarb-oxy-benzene-1,4-di-carboxyl-ate octa-hydrate.

Project description:The asymmetric unit of the title compound, 2C(14)H(18)N(5)O(3) (+)·C(10)H(5)O(8) (2-)·8H(2)O, contains one [H(2)ppa](+)cation, one half of an [H(2)btec](2-) anion (H(4)btec = 1,2,4,5-benzene-tetra-carb-oxy-lic acid and Hppa = 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydro-pyrido[2,3-d]pyrimidine-6-carb-oxy-lic acid) that is completed by inversion symmetry and four water mol-ecules. In the crystal, the mol-ecules are connected by inter-molecular hydrogen-bonding inter-actions and π-π stacking between the benzene rings of the [H(2)btec](2-) anion and the pyrimidine rings of the [H(2)ppa](+) cation [centroid-centroid distance = 3.597 (3) Å], generating a three-dimensional supra-molecular structure.

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4-Carbamoylpiperidinium 2-carb-oxy-benzoate-benzene-1,2-dicarb-oxy-lic acid (1/1).

Project description:The asymmetric unit of the title salt adduct, C(6)H(13)N(2)O(+)·C(8)H(5)O(4) (-)·C(8)H(6)O(4), comprises one isonipecotamide cation, a hydrogen phthalate anion and a phthalic acid adduct mol-ecule. These form a two-dimensional hydrogen-bonded network through head-to-tail cation-anion-adduct mol-ecule inter-actions which include a cyclic heteromolecular amide-carboxyl-ate motif [graph set R(2) (2)(8)], conjoint cyclic R(2) (2)(6) and R(3) (3)(10) piperidinium N-H?O(carbox-yl) associations, as well as strong carboxyl O-H?O(carbox-yl) hydrogen bonds.

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Crystal structure of (RS)-4-(3-carb-oxy-1-ethyl-6,8-di-fluoro-4-oxo-1,4-di-hydro-quinolin-7-yl)-2-methyl-piperazin-1-ium 3-carb-oxy-5-fluoro-benzoate.

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4-Carb-oxy-pyridin-1-ium 2,4,5-tri-carb-oxy-benzoate monohydrate.

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Project description:In the title mol-ecule, C(16)H(9)NO(5)S, there is an intra-molecular O-H?O hydrogen bond involving the quinolone carbonyl O atom and a carboxyl OH group. In the crystal, inter-molecular O-H?O hydrogen bonds between the carbonyl group of the quinolone carboxyl group, and a second carboxyl group on the thia-zeto moiety lead to the formation of chains propagating along [201] and perpendicular to the ?-stacks of mol-ecules.

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4-(3-Carb-oxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-7-quinol-yl)-1-methyl-piper-azin-ium picrate.

Project description:The pefloxacinium cation of the title salt, C(17)H(21)FN(3)O(3) (+)·C(6)H(2)N(3)O(7) (-), is composed of an essentially planar quinoline ring system [maximum deviation = 0.021?(2)?Å] and a piperazine ring, which adopts a chair conformation. In the picrate anion, the two O atoms of one of the o-NO(2) groups are disordered over two positions, with an occupancy ratio of 0.56?(4):0.44?(4). In the crystal structure, cations and anions are connected by inter-molecular N-H?O, O-H?O, C-H?O and C-H?F hydrogen bonds, forming a three-dimensional network. In addition, ?-? inter-actions between the pyridine rings and between the benzene rings of the anions, with centroid-centroid distances of 3.6103?(12) and 3.5298?(11)?Å, respectively, are observed.

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Project description:In the title compound, C(9)H(6)FNO(2), the carboxyl group is twisted slightly away from the indole-ring plane [dihedral angle = 7.39?(10)°]. In the crystal, carboxyl inversion dimers linked by pairs of O-H?O hydrogen bonds generate R(2) (2)(8) loops and N-H?O hydrogen bonds connect the dimers into (10[Formula: see text]) sheets.

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Project description:In the title compound, C(9)H(6)FNO(2), all the non-H atoms are approximately coplanar, the carb-oxy O atoms deviating by 0.0809 and -0.1279?Å from the indole plane. In the crystal, O-H?O hydrogen bonds link the mol-ecules into dimers which are linked via N-H?O hydrogen bonds and ?-? inter-actions [centroid-centroid distance = 3.680?(2)?Å].

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