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8-Iodo-quinolinium chloride dihydrate.

ABSTRACT: The title compound, C(9)H(7)IN(+)·Cl(-)·2H(2)O, was obtained during the synthesis of 8-iodo-quinoline from 8-amino-quinoline using the Sandmeyer reaction. The 8-iodo-quinolinium ion is almost planar. Solvent water mol-ecules and chloride ions form a hydrogen-bonded chain along the c axis via O-H?Cl links. The 8-iodo-quinolinium ions, which are packed along the c axis with cationic aromatic ?-? stacking (centroid-centroid distance = 3.624?Å), are linked to the chain via N-H?O hydrogen bonds.

SUBMITTER: Son JH

PROVIDER: S-EPMC2959703 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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8-Iodo-quinolinium chloride dihydrate.

Son Jung-Ho JH Hoefelmeyer James D JD

Acta crystallographica. Section E, Structure reports online 20081004 Pt 11

The title compound, C(9)H(7)IN(+)·Cl(-)·2H(2)O, was obtained during the synthesis of 8-iodo-quinoline from 8-amino-quinoline using the Sandmeyer reaction. The 8-iodo-quinolinium ion is almost planar. Solvent water mol-ecules and chloride ions form a hydrogen-bonded chain along the c axis via O-H⋯Cl links. The 8-iodo-quinolinium ions, which are packed along the c axis with cationic aromatic π-π stacking (centroid-centroid distance = 3.624 Å), are linked to the chain via N-H⋯O hydrogen bonds. ...[more]

PMID: 21580941

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A potential anti-cancer agent: 5-chloro-7-iodo-8-hy-droxy-quinolinium dichlorido(5-chloro-7-iodo-quinolin-8-olato-κN,O)palladium(II) dihydrate.

Project description:The title Pd(II) coordination compound, (C(9)H(6)ClINO)[PdCl(2)(C(9)H(4)ClINO)]·2H(2)O, was prepared as a potential anti-cancer agent. Its structure is ionic and consists of a square-planar [PdCl(2)(CQ)](-) complex anion (CQ is 5-chloro-7-iodo-quinolin-8-olate), with the Pd(II) atom surrounded by two chloride ligands in a cis configuration and one N,O-bidentate CQ mol-ecule, a protonated anion of CQ as counter-cation and two non-coordinated water mol-ecules. The water mol-ecules are involved in O-H⋯O and N-H⋯O hydrogen bonds, which inter-connect the HCQ(+) cations into a chain parallel to [010]. Apart from these inter-actions, the structure is also stabilized by face-to-face π-π inter-actions [centroid-centroid = 3.546 (3) Å], which occur between the phenolic parts of the complex anions and cations.

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8-Iodo-quinolinium triiodide tetra-hydro-furan solvate.

Project description:The title compound, C(9)H(7)IN(+)·I(3) (-)·C(4)H(8)O, was synthesized from 8-amino-quinoline using the Sandmeyer reaction. The 8-iodo-quinolinium cation is essentially planar and the triiodide ion is almost linear. N-H?O hydrogen bonds, and inter-molecular I?I [3.7100?(5)?Å] and I?H inter-actions, between the cation, anion and solvent mol-ecules result in the formation of sheets oriented parallel to the (03) plane. Between the sheets, 8-iodo-quinolinium and triiodide ions are stacked alternately, with I?C distances in the range ?3.8-4.0?Å.

| S-EPMC2959684 | biostudies-literature

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Project description:In the crystal structure of the title hydrated quinolinium salt of ferron (8-hy-droxy-7-iodo-quinoline-5-sulfonic acid), C9H7N(+)·C9H5INO4S(-)·0.8H2O, the quinolinium cation is fully disordered over two sites (occupancy factors fixed at 0.63 and 0.37) lying essentially within a common plane and with the ferron anions forming π-π-associated stacks down the b axis [minimum ring centroid separation = 3.462 (6) Å]. The cations and anions are linked into chains extending along c through hy-droxy O-H⋯O and quinolinium N-H⋯O hydrogen bonds to sulfonate O-atom acceptors which are also involved in water O-H⋯O hydrogen-bonding inter-actions along b, giving a two-dimensional network.

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l-Nebiviololinium chloride dihydrate.

Project description:The hydro-chloride salt of chiral l-nebivolol {systematic name: (+)-(R,S,S,S)-bis-[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxy-ethyl]ammonium chloride dihydrate}, C(22)H(26)F(2)NO(4) (+)·Cl(-)·2H(2)O, was obtained by chiral liquid chromatography as a dihydrate. The pyran rings adopt half-chair conformations. Hydrogen bonds between the cation, anions and water mol-ecules contribute to the formation of layers parallel to the ac plane.

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dl-Tyrosinium chloride dihydrate.

Project description:In the title compound, C(9)H(12)NO(3) (+)·Cl(-)·2H(2)O, the cation has a protonated amino group resulting from proton transfer from chloridric acid. The structure displays double layers parallel to the [010] direction held together by N-H?O, N-H?Cl, O-H?O and O-H?Cl hydrogen bonds. These layers are stacked along the c axis at b = 1/2; within each layer, the tyrosinium cations are arranged in an alternating head-to-tail sequence, forming inversion dimers [R(2) (2)(10) motif]. The water mol-ecules allow for the construction of a three-dimensional hydrogen-bonded network formed by centrosymmetric R(6) (6)(28) and R(8) (8)(34) motifs.

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Enrofloxacin hydro-chloride dihydrate.

Project description:The asymmetric unit of the title compound, C19H23FN3O3 (+)·Cl(-)·2H2O [systematic name: 4-(3-carb-oxy-1-cyclo-propyl-6-fluoro-4-oxo-1,4-di-hydro-quin-o-lin-7-yl)-1-ethyl-piperazin-1-ium chloride dihydrate], consists of two independent monocations of the protonated enrofloxacin, two chloride anions and four water mol-ecules. In the cations, the piperazinium rings adopt chair conformations and the dihedral angles between the cyclo-propyl ring and the 10-membered quinoline ring system are 56.55?(2) and 51.11?(2)°. An intra-molecular O-H?O hydrogen bond is observed in each cation. In the crystal, the components are connected via O-H?Cl, N-H?Cl and O-H?O hydrogen bonds, and a ?-? inter-action between the benzene rings [centroid-centroid distance = 3.6726?(13)?Å], resulting in a three-dimensional array.

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Crystal structure of 8-iodo-quinolinium tetra-chlorido-aurate(III).

Project description:The structure of the title salt, (C9H7IN)[AuCl4], is comprised of planar 8-iodo-quinolinium cations (r.m.s. deviation = 0.05?Å) and square-planar tetra-chlorido-aurate(III) anions. The asymmetric unit contains one 8-iodo-quinolinium cation and two halfs of [AuCl4](-) anions, in each case with the central Au(III) atom located on an inversion center. Inter-molecular halogen-halogen contacts were found between centrosymmetric pairs of I [3.6178?(4)?Å] and Cl atoms [3.1484?(11), 3.3762?(13), and 3.4935?(12)?Å]. Inter-molecular N-H?Cl and C-H?Cl hydrogen bonding is also found in the structure. These inter-actions lead to the formation of a three-dimensional network. Additionally, there is an intra-molecular N-H?I hydrogen bond between the aromatic iminium and iodine. There are no aurophilic inter-actions or short contacts between I and Au atoms, and there are no notable ?-stacking inter-actions between the aromatic cations.

| S-EPMC4719864 | biostudies-other

2-[(E)-2-(4-Ethoxy-phen-yl)ethen-yl]-1-methyl-quinolinium iodide dihydrate.

Project description:In the title compound, C(20)H(20)NO(+)·I(-)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.038?Å) and exists in an E configuration. The dihedral angle between the quinolinium ring system and the benzene ring is 0.7?(4)°. In the crystal structure, the cations are stacked in an anti-parallel manner along [100] with ?-? inter-actions between the pyridinium and ethoxy-benzene rings [centroid-centroid distance = 3.678?(5)?Å]. The cations, iodide anions and water mol-ecules are linked together through O-H?O, O-H?I and C-H?I hydrogen bonds into a two-dimensional network parallel to (001).

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