Search results for "INFORMATICS"

showing 10 items of 2542 documents

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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3-(2,4-Difluoro-anilino)-9-nitro-dibenzo[b,e]oxepin-11(6H)-one.

2011

In the title compound, C20H12F2N2O4, the two benzene rings of the tricyclic unit are oriented at a dihedral angle of 30.6 (1)°. The 2,4-difluoroanilino residue is oriented at a dihedral angle of 68.2 (1)° with respect to the phenoxy ring. In the crystal, N—H...O hydrogen bonds between the amino group and the carbonyl O atom of the oxepinone ring link the molecules into infinte chains along the c axis.

CrystallographyHydrogen bondGeneral ChemistryDihedral angleCondensed Matter PhysicsBioinformaticsRing (chemistry)Organic PapersCrystalchemistry.chemical_compoundCrystallographyResidue (chemistry)chemistryQD901-999NitroGeneral Materials ScienceBenzeneUnit (ring theory)Acta crystallographica. Section E, Structure reports online
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N-[2-(2,2-Di­methyl­propanamido)­pyrimidin-4-yl]-2,2-di­methyl­propanamide n-hexane 0.25-solvate hemihydrate

2013

The asymmetric unit of the title compound, C14H22N4O2·0.25C6H14·0.5H2O, contains two independent molecules of 2,4-bis(pivaloylamino)pyrimidine (M) with similar conformations, one water molecule and one-halfn-hexane solvent molecule situated on an inversion center. In one independentMmolecule, one of the twotert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. Then-hexane solvent molecule is disordered between two conformations in the same ratio. The water molecule bridges two independentMmoleculesviaO—H...O, N—H...O and O—H...N hydrogen bonds into a 2M·H2O unit, and these units are further linked by N—H...N hydrogen bonds into chains running in the [010] dire…

CrystallographyHydrogen bondHemihydrateGeneral Chemistrydata-to-parameter ratio = 14.2T = 123 KR factor = 0.079Condensed Matter PhysicsBioinformaticsPropanamideOrganic PapersSolventHexaneCrystallographychemistry.chemical_compoundwR factor = 0.164chemistryQD901-999mean σ(C–C) = 0.006 Åsingle-crystal X-ray studyGeneral Materials Scienceta116disorder in main residue
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(Z)-4-(2-Naphthylamino)pent-3-en-2-one

2011

The title compound, C15H15NO, which was synthesized under solvent-free conditions by the reaction of acetoacetone and 2-naphthylamine, adopts a Z conformation about the C=C bond. The enamine–ketone fragment is approximately planar [maximum deviation = 0.026 (3) Å] and forms a dihedral angle of 39.78 (3)° with the naphthalene ring system. An intramolecular N—H...O hydrogen bond is observed.

CrystallographyHydrogen bondMaximum deviationGeneral ChemistryDihedral angleCondensed Matter PhysicsRing (chemistry)BioinformaticsOrganic Paperschemistry.chemical_compoundCrystallographychemistryQD901-999General Materials ScienceNaphthaleneActa Crystallographica Section E
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Methyl 4-[5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-imidazol-2-ylsulfanyl]butanoate

2008

The title compound, C19H18FN3O2S, was synthesized in the course of studies on 2-alkylsufanylimidazoles as p38 mitogen-activated protein kinase inhibitors. The synthesis was achieved by nucleophilic substitution of 4-(4-fluorophenyl)-5-(pyridin-4-yl)-1,3-dihydroimidazole-2-thione with methyl 4-bromobutanoate. The five-membered heterocycle makes dihedral angles of 32.4 (2) and 18.3 (2)° with the fluorophenyl and pyridinyl rings, respectively, indicating a low degree of conjugation between these rings. Intramolecular C—H...N and intermolecular N—H...N hydrogen bonds as well as C—H...π interactions seem to be effective in stabilization of the crystal stru…

CrystallographyQD901-999ChemistryHydrogen bondNucleophilic substitutionGeneral Materials ScienceGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsOrganic PapersMedicinal chemistryActa Crystallographica Section E Structure Reports Online
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(E)-7-(Pyren-1-yl)hept-6-enoic acid

2010

The title compound, C23H20O2, is a precursor of a pyrene-based supramolecular element for non-covalent attachment to a carbon nanotube. The asymmetric unit contains three independent molecules. The carboxylic acid group in each of these molecules serves as an intermolecular hydrogen-bond donor and acceptor, generating the commonly observed double O—H...O hydrogen-bond motif in an eight-membered ring. Weaker C—H...O, π–π [centroid–centroid distance = 3.968 (4) Å] and C—H...π interactions are also found in the crystal structure.

CrystallographyStereochemistryChemistryGeneral ChemistryCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter PhysicsRing (chemistry)Bioinformatics01 natural sciencesAcceptorOrganic Papers3. Good health0104 chemical scienceschemistry.chemical_compoundQD901-999PyreneGeneral Materials ScienceAcid groupActa Crystallographica Section E: Structure Reports Online
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1-[2-(2,4-Dichloro­phenyl)­pent­yl]-1H-1,2,4-triazole

2009

The title compound, C13H15Cl2N3, also known as penconazole, crystallizes as a racemate. The dihedral angle between the benzene and triazole rings is 24.96 (13)°. In the crystal structure, molecules are linked into chains running parallel to the c axis by intermolecular C—H...N hydrogen-bonding interactions.

CrystallographyTriazole124-TriazoleGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsBioinformaticsMedicinal chemistryOrganic Paperschemistry.chemical_compoundchemistryQD901-999General Materials ScienceBenzeneActa Crystallographica Section E: Structure Reports Online
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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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DESIGUALDAD DE GÉNERO EN LA INVESTIGACIÓN MÉDICA ESPAÑOLA: UN CASO PARADIGMÁTICO

2021

Resumen Con el objeto de evaluar la desigualdad de género en la investigación científica médica, se analizan las bases de datos institucionales de investigación de la Universidad de Valencia (2000-2018), de las facultades de ciencias de la salud (Medicina y Odontología, Farmacia, Enfermería y Fisioterapia), considerando sexo, categoría académica, edad y especialidad clínica de los investigadores/as. Los académicos son responsables de un número abrumador de proyectos y contratos de investigación, de importes mucho más elevados que los dirigidos por sus colegas mujeres. El estudio revela también segregación horizontal y una brecha salarial de género significativa, subrayando la necesidad de p…

Cultural StudiesLC8-6691020205 medical informatics02 engineering and technologyUNIVERSIDADDESIGUALDAD DE GÉNEROSpecial aspects of educationHM401-1281EducationGender Studies03 medical and health sciencesCIENCIAS MÉDICAS0302 clinical medicineINVESTIGACIÓN0202 electrical engineering electronic engineering information engineeringSociology (General)030212 general & internal medicineCadernos de Pesquisa
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