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6-[(4-Hy-droxy-phen-yl)diazenyl]-1,10-phenanthrolin-1-ium chloride monohydrate.

ABSTRACT: In the cation of the title mol-ecular salt, C(18)H(13)N(4)O(+)·Cl(-)·H(2)O, the dihedral angle between the mean planes of the 1,10-phenanthroline system and the phenol ring is 14.40?(19)°. The crystal packing is stabilized by O-H?O hydrogen bonds, weak N-H?Cl and O-H?Cl inter-molecular inter-actions and ?-? stacking inter-actions [centroid-centroid distance = 3.6944?(13) and 3.9702?(12)?Å].

PROVIDER: S-EPMC3238824 | BioStudies | 2011-01-01T00:00:00Z

REPOSITORIES: biostudies

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Bis(1,10-phenanthrolin-1-ium) tetra-chlorido-zincate monohydrate.

Project description:In the crystal structure of the title compound, (C12H9N2)2[ZnCl4]·H2O, the two independent 1,10-phenanthrolinium cations are bridged by the water mol-ecule and the tetrahedral tetrachloridozincate anion via N-H?O, O-H?Cl and N-H?Cl hydrogen bonds, forming chains along [100]. The chains are linked via C-H?Cl hydrogen bonds and a number of ?-? inter-actions [centroid-centroid distances vary from 3.5594?(14) to 3.7057?(13)?Å], forming a three-dimensional network. In each 1,10-phenanthrolinium cation, there is a short N-H?N inter-action.

2014-01-01 | S-EPMC3998259 | BioStudies

1,10-Phenanthrolin-1-ium 2-carb-oxy-4,5-dichloro-benzoate.

Project description:In the structure of the 1:1 proton-transfer compound of 1,10-phenanthroline with 4,5-dichloro-phthalic acid, C(12)H(9)N(2) (+)·C(8)H(3)Cl(2)O(4) (-), determined at 130?K, the 1,10-phenanthrolinium cation and the hydrogen 4,5-dichloro-phthalate anion associate through a single N-H?O(carbox-yl) hydrogen bond giving discrete units which have no extension except through a number of weak cation C-H?O(anion) associations and weak cation-anion aromatic ring ?-? inter-actions [minimum centroid-centroid separation = 3.6815?(12)?Å]. The anions are essentially planar "[maximum deviation 0.214?(1)?Å (a carboxyl O)] with the syn-related H atom of the carboxyl group, forming a short intra-molecular O-H?O(carbox-yl) hydrogen bond.

2009-01-01 | S-EPMC2970357 | BioStudies

5,6-Dihydr-oxy-1,10-phenanthrolin-1-ium chloride dihydrate.

Project description:The title compound, C(12)H(9)N(2)O(2) (+)·Cl(-)·2H(2)O, exhibits a layered structure which is stabilized by inter-molecular O-H?O, O-H?Cl(-) and N(+)-H?Cl(-) hydrogen bonds, and ?-? inter-actions (centroid-centroid distances = 3.654 and 3.583?Å). The distances between the molecules are 3.371 and 3.294?Å.

2009-01-01 | S-EPMC2970196 | BioStudies

Bis(1,10-phenanthrolin-1-ium) hexa-bromidoplatinate(IV) dihydrate.

Project description:The asymmetric unit of the title compound, (C(12)H(9)N(2))(2)[PtBr(6)]·2H(2)O, contains a protonated 1,10-phenanthroline cation (H-phen), one half of a [PtBr(6)](2-) anionic complex and a solvent water mol-ecule. The Pt(IV) ion is located on an inversion centre and is coordinated in an octa-hedral environment by six Br atoms. The crystal structure displays numerous inter-molecular ?-? inter-actions between six-membered rings of H-phen, with a shortest centroid-centroid distance of 3.670?(5)?Å, and inter-molecular N-H?O, O-H?Br and O-H?N hydrogen bonds.

1000-01-01 | S-EPMC2979881 | BioStudies

2,9-Dimethyl-4,7-diphenyl-1,10-phenanthrolin-1-ium tetra-chloridoaurate(III).

Project description:Both the cation and anion of the title compound, (C(26)H(21)N(2))[AuCl(4)], are disposed about a plane of mirror symmetry. The 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolinium ring is oriented at a dihedral angle of 44.2?(1)° with respect to the planar phenyl ring systems. The Au(III) atom has a square-planar environment defined by four Cl atoms. The crystal structure is stabilized by C-H?? and Au?? ring-metal (3.551?Å) inter-actions. In the crystal structure, the mol-ecules stack along the c axis via N-H?N hydrogen-bond inter-actions.

1000-01-01 | S-EPMC2977548 | BioStudies

Tris(3,4,7,8-tetra-methyl-1,10-phenanthrolin-1-ium) hexa-cyanidocobaltate(III) penta-hydrate.

Project description:The structure of the title compound, (C16H17N2)3[Co(CN)6]·5H2O, consists of three 3,4,7,8-tetra-methyl-1,10-phenanthrolin-1-ium cations, a [Co(CN)6](3-) anion and five water mol-ecules of crystallization, one of which is disordered over two sets of sites in a 0.587?(15):0.413?(15) ratio. The [Co(CN)6](3-) anion exhibits an octa-hedral geometry. In the structure, cations and anions are linked alternatively through O-H?O, O-H?N, N-H?O and N-H?N hydrogen bonds, ?-? inter-actions [centroid-centroid distances = 3.523?(2)-4.099?(2)?Å] and van der Waals forces, forming a three-dimensional supra-molecular network.

2013-01-01 | S-EPMC3588511 | BioStudies

Bis(1,10-phenanthrolin-1-ium) 9,10-di-oxo-9,10-dihydroanthracene-1,5-disul-fonate hexa-hydrate.

Project description:The title hydrated molecular salt, 2C(12)H(9)N(2) (+)·C(14)H(6)O(8)S(2) (2-)·6H(2)O, consists of 1,10-phenanthrolinium (phen-H(+)) cations, anthraquinone-1,5-disulfonate (AQDS(2-)) anions, which occupy a centre of inversion, and water molecules of crystal-lization. In the crystal, a supra-molecular network structure is formed via N-H?O and O-H?O hydrogen bonds and weak C-H?O and ?-? stacking inter-actions [centroid-centroid distances = 3.651?(6) and 3.545?(8)?Å].

1000-01-01 | S-EPMC3051516 | BioStudies

N-Benzoyl-N'-(1,10-phenanthrolin-5-yl)thio-urea dichloro-methane hemisolvate monohydrate.

Project description:The title compound, C(20)H(14)N(4)OS·0.5CH(2)Cl(2)·H(2)O, contains 1,10-phenanthroline and benzoyl fragments that adopt cisoid and transoid conformations respectively, with respect to the S atom. In the crystal, mol-ecules are linked by inter-molecular O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds, forming chains along [011]. Weak C-H?? and slipped ?-? stacking inter-actions [centroid-centroid distances = 3.715?(3), 3.684?(3) and 3.574?(2)?Å] are also observed. In addition to an ordered water mol-ecule of solvation, there is a disordered dichloro-methane solvent mol-ecule which was difficult to model correctly. The contributions to the electron density for this mol-ecule was removed using the SQUEEZE procedure in PLATON [Spek (2009 ?). Acta Cryst. D65, 148-155].

1000-01-01 | S-EPMC3120558 | BioStudies

9-(2-Pyridylmeth-oxy)-1,10-phenanthrolin-1-ium perchlorate methanol solvate.

Project description:In the title organic salt, C(18)H(14)N(3)O(+)·ClO(4) (-)·CH(4)O, there is a ?-? stacking inter-action between neighbouring 1,10-phenanthroline rings and the relevant distances are 3.5453?(18)?Å for the centroid-centroid distance and 3.354?Å for the perpendicular distance. There is also a relatively close contact between a C-H bond and a symmetry-related pyridine ring. There are classical N-H?O and O-H?N hydrogen bonds and non-classical C-H?O hydrogen bonds involving the cation, methanol solvent mol-ecule and perchlorate anion.

2008-01-01 | S-EPMC2962027 | BioStudies

1,10-Phenanthrolin-1-ium nitrate-aqua-bis-(4-hydroxy-benzoato-?O,O')(nitrato-?O,O')(1,10-phenanthroline-?N,N')erbium(III)-1,10-phenanthroline-water (1/1/0.5/2).

Project description:In the title compound, C(12)H(9)N(2) (+)·NO(3) (-)·[Er(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(H(2)O)]·0.5C(12)H(8)N(2)·2H(2)O, the water-mol-ecule-coordinated Er(III) ion is chelated by one 1,10-phenanthroline (phen) ligand, two 4-hy-droxy-benzoate anions and one nitrate anion in a monocapped square-anti-prismatic coordination geometry. The uncoordinating phen mol-ecule is approximately parallel to the 1,10-phenanthrolin-1-ium (Hphen) anion [dihedral angle = 3.3?(4)°]. The centroid-centroid distance of 3.801?(5)?Å between pyridine rings suggests the existence of ?-? stacking. The crystal structure contains an extensive network of classical O-H?O and N-H?O and weak C-H?O hydrogen bonds. C-H?? inter-actions between phen and 4-hy-droxy-benzoate is also present in the crystal structure. In the crystal, the uncoordinating phen is equally disordered over two sites about an inversion center.

1000-01-01 | S-EPMC3050183 | BioStudies

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