Search results for "Pyridine"

showing 10 items of 2516 documents

N-(5-Amino-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide

2013

The title compound, C8H8N6O, was obtained by the reaction of 3,5-diamino-1,2,4-triazole with ethyl 2-picolinate in a glass oven. The dihedral angles formed between the plane of the amide group and the pyridine and triazole rings are 11.8 (3) and 5.8 (3)°, respectively. In the crystal, an extensive system of classical N—H...N and N—H...O hydrogen bonds generate an infinite three-dimensional network.

CrystallographyChemistryHydrogen bondmedicine.drug_classTriazoleCarboxamideGeneral ChemistryDihedral angleCondensed Matter PhysicsBioinformaticsOrganic PapersMedicinal chemistryCrystalchemistry.chemical_compoundQD901-999AmidePyridinemedicineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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A C(π-hole)⋯Cl-Zn tetrel interaction driving a metal-organic supramolecular assembly

2020

A brominated pyrimidinyl triazolopyridine ligand (bptpy) forms a C(π-hole)⋯Cl-Zn tetrel interaction that plays a determining role in the formation of supramolecular layers through chain assembly in 18 membered metallacycle [(ZnCl2)2(μ-bptpy)2] crystals. Supramolecular chains are formed through C-H⋯X interactions. The observed interactions are supported by DFT calculations using model dimers. This journal is

CrystallographyChemistryLigandSupramolecular chemistryGeneral Materials ScienceTriazolopyridineGeneral ChemistryMetallacycleCondensed Matter PhysicsSupramolecular assemblyCrystEngComm 22: 6979-6982 (2020)
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N-{4-[4-(4-Fluorophenyl)-1-(2-methoxyethyl)-2-methylsulfanyl-1H-imidazol-5-yl]-2-pyridyl}-2-methyl-3-phenylpropionamide

2009

In the crystal structure of the title compound, C28H29FN4O2S, the imidazole ring makes dihedral angles of 11.85 (7), 73.33 (7) and 22.83 (8)° with the 4-fluorophenyl, pyridine and phenyl rings, respectively. The 4-fluorophenyl ring makes dihedral angles of 77.91 (7) and 26.93 (8)° with the pyridine and phenyl rings, respectively. The phenyl and pyridine rings are nearly perpendicular, making a dihedral angle of 86.47 (9)°. The crystal packing shows an intermolecular N—H...O hydrogen-bonding interaction between the N—H and carbonyl groups of the amide functions.

CrystallographyGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Organic PapersMedicinal chemistryCrystalchemistry.chemical_compoundchemistryQD901-999SulfanylAmidePyridineImidazoleGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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4-[3-(4-Fluorophenyl)quinoxalin-2-yl]-N-isopropylpyridin-2-amine

2009

In the crystal structure of the title compound, C22H19FN4, the quinoxaline system makes dihedral angles of 32.07 (13) and 69.64 (13)° with the 4-fluorophenyl and pyridine rings, respectively. The 4-fluorophenyl ring makes a dihedral angle of 71.77 (16)° with the pyridine ring. The crystal structure is stabilized by intermolecular N—H...N hydrogen bonding.

CrystallographyHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersMedicinal chemistrychemistry.chemical_compoundQuinoxalinechemistryQD901-999PyridineGeneral Materials ScienceAmine gas treatingIsopropylActa Crystallographica Section E Structure Reports Online
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4-(4-Fluorophenyl)-1-(4-nitrophenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-amine

2012

In the crystal structure of the title compound, C20H14FN5O2, the pyrazole ring forms dihedral angles of 59.3 (2), 25.6 (2) and 46.0 (2)° with the directly attached 4-fluorophenyl, pyridine and nitrophenyl rings, respectively. The crystal packing is characterized by intermolecular N—H...N and N—H...O hydrogen bonds.

CrystallographyHydrogen bondGeneral ChemistryCrystal structurePyrazoleDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersMedicinal chemistryCrystalchemistry.chemical_compoundchemistryQD901-999PyridineNitroGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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2-(Benzylsulfanyl)pyridineN-oxide

2008

In the title compound, C12H11NOS, the dihedral angle between the oxopyridinium and phenyl rings is 58.40 (1)°. The crystal structure is stabilized by C—H...O hydrogen bonds, π–π stacking interactions involving the pyridinium rings [centroid–centroid distance = 3.6891 (9) Å] and C—H...π interactions.

CrystallographyHydrogen bondStackingPyridine-N-oxideGeneral ChemistryCrystal structureDihedral angleCondensed Matter Physicscomputer.software_genreOrganic Paperschemistry.chemical_compoundCrystallographychemistryQD901-999General Materials SciencePyridiniumData miningcomputerActa Crystallographica Section E Structure Reports Online
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2-(4-Fluorophenyl)-3-(4-pyridyl)pyrido[2,3-b]pyrazine

2009

In the crystal structure of the title compound, C18H11FN4, the pyridopyrazine system makes dihedral angles of 45.51 (7) and 44.75 (7)° with the attached 4-fluorophenyl ring and the pyridine ring, respectively. The 4-fluorophenyl ring makes a dihedral angle of 54.54 (8)° with the pyridine ring. The pyridine ring part of the pyridopyrazine ring and the pyrazine ring of two c-glide-plane-related molecules form π–π interactions. The angle between the planes is 2.09 (7)° and the distance between the centroids is 3.557 (1)Å.

CrystallographyPyrazineChemistryGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Organic Paperschemistry.chemical_compoundCrystallographyQD901-999PyridineGeneral Materials ScienceActa Crystallographica Section E
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3-(4-Fluorophenyl)-2-(4-pyridyl)pyrido[2,3-b]pyrazine

2009

In the crystal structure of the title compound, C18H11FN4, the pyridopyrazine ring makes dihedral angles of 34.67 (7) and 52.24 (7)° with the 4-fluorophenyl and pyridine rings, respectively. The 4-fluorophenyl ring makes a dihedral angle of 59.56 (9)° with the pyridine ring.

CrystallographyPyrazineGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Organic PapersCrystallographychemistry.chemical_compoundchemistryQD901-999PyridineGeneral Materials ScienceActa Crystallographica Section E Structure Reports Online
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Synthesis and crystal structures of two novel triazolopyridine compounds solved by local L.S. minimizations from powder diffraction data

2014

The heteroaryl-substituted triazolopyridines 3-phenyl-7-(pyrazin-2-yl)-[1,2,3]triazolo[1,5-a]pyridine (2) and 3-[6-(pyridazin-3-yl)-pyridin-2-yl]-[1,2,3]triazolo[1,5-a]pyridine (4) have been synthesized and characterized (by HRMS, IR,1H and13C NMR, XRPD, melting point). The crystal structures have been solved from laboratory powder X-ray diffraction data with the direct-space strategy TALP for molecular compounds based on fast local least-squares minimizations. The crystal structure confirmed the formation of the tridentate compound4from a ring chain isomerization process. The almost planar arrangement of atoms in both the structures favors the presence of intermolecularπ–πinteractions, alt…

CrystallographyRadiationMaterials scienceGeneral Materials ScienceTriazolopyridineCrystal structureCondensed Matter PhysicsInstrumentationPowder diffractionPowder Diffraction
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2-(2,3,5,6-Tetra­methyl­benzyl­sulfan­yl)pyridine N-oxide

2008

In the title compound, C16H19NOS, the durene ring and the oxopyridyl ring form a dihedral angle of 82.26 (7)°. The crystal structure is stabilized by intermolecular C—H...O hydrogen bonds, weak C—H...π interactions and π–π interactions [centroid–centroid distance of 3.4432 (19) Å], together with intramolecular S...O [2.657 (2) Å] short contacts.

CrystallographybiologyHydrogen bondDurenePyridine-N-oxideGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsbiology.organism_classificationRing (chemistry)Organic PapersCrystallographychemistry.chemical_compoundchemistryQD901-999TetraGeneral Materials ScienceActa Crystallographica Section E: Structure Reports Online
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