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3-Carboxy-pyrazino[2,3-f][1,10]phenanthrolin-9-ium-2-carboxyl-ate.

ABSTRACT: In the title zwitterionic compound, C(16)H(8)N(4)O(4), the dihedral angle between the carboxyl and carboxyl-ate groups is 72.14 (2)°. In the crystal, mol-ecules are linked by strong inter-molecular O-H⋯O(-) and N(+)-H⋯O(-) hydrogen bonds into double chains extended along [001]. These chains are additionally stabilized by π-π stacking inter-actions between the pyridine and benzene rings [centroid-centroid distance = 3.5542 (8) Å].

SUBMITTER: Zhang XN

PROVIDER: S-EPMC2983978 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1,10-Phenanthrolinium 2'-carboxy-biphenyl-2-carboxyl-ate.

Project description:The title complex, C(12)H(9)N(2) (+)·C(14)H(9)O(4) (-) or (Hphen)(+)(Hbptc)(-) [H(2)btc = 2,2'-biphenyl-dicarboxylic acid and phen = 1,10-phenanthroline], has been synthesized under hydro-thermal conditions. The compound is composed of discrete cations (Hphen)(+) and anions (Hbptc)(-), which are linked by electrovalent bonding; the molecular and crystal structures are further strengthened by intra-molecular O-H?O and inter-molecular N-H?O hydrogen bonds.

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5,6-Dioxo-1,10-phenanthrolin-1-ium chloride.

Project description:The title compound, C(12)H(7)N(2)O(2) (+)·Cl(-), is isostructural with its bromide analogue. The compound exhibits a layered structure in which all atoms lie on a crystallographic mirror plane. N(+)-H⋯Cl(-) hydrogen bonds, C-H⋯O and C-H⋯Cl(-) contacts are formed within each layer. The perpendicular separation between the layers is 3.141 (1) Å.

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2,3-Bis(furan-2-yl)pyrazino-[2,3-f][1,10]phenanthroline.

Project description:The mol-ecule of the title compound, C22H12N4O2, is located on a twofold rotation axis. The dihedral angle between the furan and pyrazine rings is 34.8?(7)°, and that between the furan rings is 46.92?(7)°. A ?-? stacking interaction occurs between adjacent pyrazino[2,3-f][1,10]phenanthroline units, with an interplanar distance of 3.5862?(12)?Å.

| S-EPMC3884288 | biostudies-literature

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.

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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.

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1,10-Phenanthrolin-1-ium hydrogen d,l-tartrate dihydrate.

Project description:In the title hydrated molecular salt, C(12)H(9)N(2) (+)·C(4)H(5)O(6) (-)·2H(2)O, the cation is almost planar (r.m.s. deviation = 0.014?Å); the carbon skeleton of the anion assumes a trans conformation [C-C-C-C torsion angle = -179.86?(14)°]. The carboxyl end of one hydrogen tartrate anion forms a short hydrogen bond to the carboxyl-ate end of another anion [O?O = 2.508?(2)?Å] in a head-to-tail manner, forming a chain; the chains and water mol-ecules inter-act, generating an O-H?O hydrogen-bonded layer. The cation binds to the layer by an N-H?O hydrogen bond.

| S-EPMC3120439 | biostudies-literature

5,6-Di-oxo-1,10-phenanthrolin-1-ium trifluoro-methane-sulfonate.

Project description:In the structure of the title salt, C(12)H(7)N(2)O(2) (+)·CF(3)SO(3) (-), the cation participates in hydrogen bonding with the dione group of an adjacent cation as well as with the trifluoro-methane-sulfonate anion. In addition, there is an extensive network of C-H?O inter-actions between the cations and anions. There are two formula units per asymmetric unit. The crystal studied exhibits inversion twinning.

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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.

| S-EPMC2970357 | biostudies-literature

1H-Imidazo[4,5-f][1,10]phenanthrolin-7-ium perchlorate monohydrate.

Project description:In the title crystal structure, C(13)H(9)N(4) (+)·ClO(4) (-)·H(2)O, cations, anions and water mol-ecules are linked through inter-molecular N-H?O, O-H?N and O-H?O hydrogen bonds, forming layers parallel to (001). In addition, there are weak ?-? stacking inter-actions between the layers, involving the cations and with centroid-centroid distances in the range 3.584?(2)-3.662?(2)?Å, forming a three-dimensional network.

| S-EPMC2970354 | biostudies-literature

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.

| S-EPMC2962027 | biostudies-literature

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