Search results for "bond"

showing 10 items of 3527 documents

N-{4-[3-(4-Fluorophenyl)pyrido[2,3-b]pyrazin-2-yl]-2-pyridyl}isopropylamine

2009

In the crystal structure of the title compound, C21H18FN5, the pyridopyrazine ring system forms dihedral angles of 33.27 (7) and 48.69 (9)° with the 4-fluorophenyl and pyridine ring, respectively. The dihedral angle of the 4-fluorophenyl and pyridine rings is 57.45 (8)°. The crystal packing is characterized by an intermolecular N—H...N hydrogen bond.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrylcsh:ChemistryCrystalchemistry.chemical_compoundlcsh:QD1-999chemistryPyridineGeneral Materials ScienceAmine gas treatingIsopropylActa Crystallographica Section E Structure Reports Online
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4-[2-(4-Fluorophenyl)-1H-pyrrol-3-yl]pyridine

2009

In the crystal structure of the title compound, C(15)H(11)FN(2), the pyrrole ring makes dihedral angles of 33.19 (9) and 36.33 (10)° with the pyridine and 4-fluoro-phenyl rings, respectively. The pyridine ring makes a dihedral angle of 46.59 (9)° with the 4-fluoro-phenyl ring. In the crystal structure, an N-H⋯N hydrogen bond joins the mol-ecules into chains.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Paperschemistry.chemical_compoundCrystallographychemistryPyridineGeneral Materials SciencePyrroleActa Crystallographica Section E Structure Reports Online
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4-[5-(4-Fluoro­phen­yl)-1H-imidazol-4-yl]pyridine

2009

In the title compound, C(14)H(10)FN(3), the imidazole ring makes dihedral angles of 28.2 (1) and 36.60 (9)° with the pyridine ring and the 4-fluoro-phenyl ring, respectively. The pyridine ring forms a dihedral angle of 44.68 (9)° with the 4-fluoro-phenyl ring. Inter-molecular N-H⋯N hydrogen bonds are observed in the crystal structure.

Hydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Paperschemistry.chemical_compoundCrystallographychemistryPyridineImidazoleGeneral Materials ScienceActa Crystallographica Section E: Structure Reports Online
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4-(4-Fluoro­phen­yl)-3-(pyridin-4-yl)-1-(2,4,6-trichloro­phen­yl)-1H-pyrazol-5-amine

2012

In the title compound, C20H12Cl3FN4, the pyrazole ring forms dihedral angles of 47.51 (9), 47.37 (9) and 74.37 (9)° with the directly attached 4-fluorophenyl, pyridine and 2,4,6-trichlorophenyl rings, respectively. Only one of the two amino H atoms is involved in hydrogen bonding. The crystal packing is characterized by N—H...N hydrogen bonds, which result in infinite chains parallel to the c axis.

Hydrogen bondGeneral ChemistryDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)BioinformaticsMedicinal chemistryOrganic Paperslcsh:ChemistryCrystalchemistry.chemical_compoundlcsh:QD1-999chemistryPyridine1H-pyrazol-5-amineGeneral Materials ScienceActa Crystallographica Section E: Structure Reports Online
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4-(4-Fluorophenyl)-1-phenyl-3-(pyridin-4-yl)-1H-pyrazol-5-amine

2012

In the title compound, C20H15FN4, the pyrazole ring forms dihedral angles of 43.51 (6), 39.95 (6) and 32.23 (6)° with the directly attached 4-fluorophenyl, pyridine and phenyl rings, respectively. The crystal packing is stabilized by intermolecular N—H...N and N—H...F hydrogen bonds.

Hydrogen bondGeneral ChemistryDihedral anglePyrazoleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic PapersMedicinal chemistrylcsh:ChemistryCrystalchemistry.chemical_compoundlcsh:QD1-999chemistryPyridine1H-pyrazol-5-amineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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Structural Versatility of Anion−π Interactions in Halide Salts with Pentafluorophenyl Substituted Cations

2008

A series of pentafluorophenyl substituted ammonium, iminium, amidinium, and phosphonium halides are presented which show extensive anion-pi interactions. Hereby, the well-known anion-donor-pi-acceptor as well as "eta6" anion-pi-complex type interactions are observed. The latter is supported by fixation of the anion on top of the aromatic system through hydrogen bonding. This arrangement was investigated by theoretical methods showing a highly attractive anion-pi interaction. In addition an eta2-type coordination of the anions to only two C-atoms of the electron-deficient ring system is described.

Hydrogen bondHalideIminiumGeneral ChemistryRing (chemistry)PhotochemistryBiochemistryCatalysisIonchemistry.chemical_compoundColloid and Surface ChemistrychemistryPolymer chemistryTheoretical methodsAmmoniumPhosphoniumJournal of the American Chemical Society
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2018

The title compound, C24H22N2OP2, is an asymmetrically substituted hydrazine derivative bearing a phosphoryl and a phosphanyl substituent. The PNNP backbone has a torsion angle of −131.01 (8)°. In the crystal, molecules form centrosymmetric dimers by intermolecular N—H...O hydrogen bonds, which are further linked into a three-dimensional network by weak C—H...O and C—H...π interactions.

Hydrogen bondHydrazineSubstituentCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciences0104 chemical sciencesCrystalCrystallographychemistry.chemical_compoundchemistryDerivative (chemistry)IUCrData
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Influence of Host-Guest and Host-Host Interactions on the Spin-Crossover 3D Hofmann-type Clathrates {FeII(pina)[MI(CN)2]2·xMeOH (MI = Ag, Au)

2019

[EN] The synthesis, structural characterization and magnetic properties of two new isostructural porous 3D compounds with the general formula {FeII(pina)[MI(CN)2]2}·xMeOH (x = 0¿5; pina = N-(pyridin-4-yl)isonicotinamide; MI = AgI and x ~ 5 (1·xMeOH); MI = AuI and x ~ 5 (2·xMeOH)) are presented. The single-crystal X-ray diffraction analyses have revealed that the structure of 1·xMeOH (or 2·xMeOH) presents two equivalent doubly interpenetrated 3D frameworks stabilized by both argentophilic (or aurophilic) interactions and interligand C¿O···HC H-bonds. Despite the interpenetration of the networks, these compounds display accessible void volume capable of hosting up to five molecules of methano…

Hydrogen bondInorganic ChemistrySolventCrystallographychemistry.chemical_compoundchemistrySpin crossoverDesorptionFISICA APLICADAMoleculeIsonicotinamideMethanolPhysical and Theoretical ChemistryIsostructural
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Nitrate Encapsulation within the Cavity of Polyazapyridinophane. Considerations on Nitrate−Pyridine Interactions

2010

Interaction of nitrate anions with a cyclophane (L) containing two pyridine units connected to two diethylenetriamine bridges through methylene positions is reported both in pure water and in the solid state. The crystal structure of [H4L](NO3)4 shows that one of the nitrate anions resides in the macrocyclic cavity forming two sets of bifurcated hydrogen bonds with the four protonated amino groups of the macrocycle. This anion is symmetrically placed in the middle of the pyridine rings with distances between its nitrogen atom and the centroids of the ring of 3.58 A. Despite this location, calculations by theoretical analysis were carried out to confirm whether the stabilizing effect is due …

Hydrogen bondInorganic chemistryProtonationGeneral ChemistryCrystal structureCondensed Matter Physicschemistry.chemical_compoundCrystallographychemistryNitratePyridineDiethylenetriamineGeneral Materials ScienceMethyleneCyclophaneCrystal Growth & Design
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Networks based on hydrogen-bonds containing phosphorus anions and tris(3,5-dimethylpyrazolyl)borate nickel(II) moieties

2012

Abstract Five structural kinds of nickel hydrogen-bonded networks containing hydrotris(3,5-dimethylpyrazolyl)borate ligands (Tp∗) have been elucidated by X-ray diffraction, [Tp∗Ni(OH2)3][(p-NO2C6H4O)2PO2] (4), [Tp∗Ni(OH2)3][Me2PO2]·Me2P(O)OH (5), [Tp∗Ni(OH2)3][(nBuO)2PO2]·0.5H2O (6), [(Hpz)Tp∗Ni(OH2)2][(Ph)PO2OH] (7) and [Tp∗Ni(OH2)2(Me2PO2)] (8). The most relevant supramolecular feature of complexes 4–8 is all of them form coordination networks based on hydrogen bonds between water molecules and phosphate, phosphonate or phosphinate anions. These hydrogen bonds are formed within the monomer units in addition to connect monomers along the chains. Their behaviors in solution were investigate…

Hydrogen bondInorganic chemistrySupramolecular chemistrychemistry.chemical_elementNuclear magnetic resonance spectroscopyPhosphinatePhosphonateInorganic Chemistrychemistry.chemical_compoundNickelMonomerchemistryPolymer chemistryMaterials ChemistryMoleculePhysical and Theoretical ChemistryPolyhedron
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