Search results for "geometry."

showing 10 items of 4386 documents

Points massiques, espace des sphères et « hyperbole »

2015

The use of massic points permits to define a branch of a hyperbola in the Euclidean plane using a Rational Quadratic Bézier Curve. In the space of spheres, a circular cone, a circular cylinder, a torus, a pencil of spheres or a Dupin cyclide is represented by a conic. If the kind of the pencil is Poncelet or if the canal surface is a circular cone, a spindle torus, a spindle or a horned Dupin cyclide, the curve is a circle which is seen as a hyperbole. The limit points of the pencil or the singular points of the Dupin cyclide can be determined using the asymptotes of this circle. In this article, we show that the use of massic points simplifies the modelization of these pencils or these Dup…

courbe de BézierHyperbolecyclide de Dupinpoints massiquesfaisceau de sphères[MATH] Mathematics [math][MATH.MATH-MG] Mathematics [math]/Metric Geometry [math.MG][MATH]Mathematics [math][MATH.MATH-MG]Mathematics [math]/Metric Geometry [math.MG]espace des sphères.
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Crystal structure of bis{μ2-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate

2016

The title complex is a centrosymmetric dimer with a copper–copper distance of 4.0408 (3) Å. The Cu ions in the dimer are bridged by two triazole rings and oxygen donor ligands from water mol­ecules and nitrate anions in a distorted octa­hedral coordination geometry.

crystal structureDimerTriazoledinuclear copper complexchemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesResearch CommunicationsCrystalchemistry.chemical_compound124-triazoleGeneral Materials ScienceCoordination geometryCrystallography010405 organic chemistryHydrogen bond124-TriazoleGeneral ChemistryCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999hydrogen bondsActa Crystallographica Section E: Crystallographic Communications
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Crystal structures of organoplatinum complexes containing alkyleugenoxyacetate and p-chloroaniline

2016

In the title trans-di­chlorido­platinum(II) complexes, the central PtII atom is further coordinated by the p-chloro­aniline N atom and ethyl­enic double bond of alkyl­eugenoxyacetate.

crystal structureDouble bondStereochemistryCrystal structure010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesResearch Communicationstrans-dichloridoplatinum(II) complexeslcsh:Chemistry03 medical and health scienceschemistry.chemical_compound0302 clinical medicinep-chloroanilineGeneral Materials ScienceBenzenetrans-di­chlorido­platinum(II) complexesOrganoplatinumCoordination geometrychemistry.chemical_classificationHydrogen bondLigandp-chloro­anilineGeneral ChemistryCondensed Matter Physicshydrogen bonding0104 chemical sciencesCrystallographychemistrylcsh:QD1-999030220 oncology & carcinogenesisActa Crystallographica Section E: Crystallographic Communications
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Bis{3,5-di-tert-butyl-N-[(4-dimethylamino)phenyl]salicylaldiminato}cobalt(II)

2017

In the title complex [systematic name: bis(2,4-di-tert-butyl-6-{N-[4-(dimethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)], [Co(C23H31N2O)2], the cobalt(II) atom is coordinated by pairs of O and N atoms in a distorted tetrahedral coordination geometry. The dihedral angles formed by the aromatic rings of the same ligand are 51.99 (11) and 36.58 (9)°. The molecular conformation features weak intramolecular C—H...O hydrogen bonds. In the crystal, inversion-related pairs of complex molecules are linked into dimers by weak C—H...π interactions. The methyl C atoms oftert-butyl groups have rotational disorder, with site occupancies of 0.647 (7) and 0.617 (6) for the major components and 0.353 …

crystal structureHydrogen bondLigandchemistry.chemical_elementAromaticityCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencescobalt(II) complex0104 chemical sciencesCrystalCrystallographychemistrylcsh:QD901-999lcsh:Crystallographydistorted tetrahedral geometryCobaltCoordination geometryIUCrData
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Bis(4,6-di-tert-butyl-2-{N-[4-(diethylamino)phenyl]carboximidoyl}phenolato)cobalt(II)

2017

In the title complex, [Co(C25H35N2O)2], the cobalt(II) atom has a distorted tetrahedral geometry provided by pairs of O and N atoms. The dihedral angles between the benzene rings of the same ligand are 52.39 (9) and 34.96 (9)°. The molecular structure is stabilized by weak intramolecular C—H...O hydrogen bonds. The crystal packing is stabilized mainly by van der Waals forces. The structure contains a solvent-accessible void of 276 Å3which was treated using the SQUEEZE routine fromPLATON[Spek (2015).Acta Cryst.C71, 9–18]. The methyl C atoms of thetert-butyl groups are rotationally disordered, with site occupancies of 0.802 (3) and 0.548 (9) for the major components and 0.198 (3) and 0.452 (9…

crystal structureHydrogen bondchemistry.chemical_elementCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencescobalt(II) complex0104 chemical scienceschemistry.chemical_compoundsymbols.namesakeCrystallographychemistryAtomlcsh:QD901-999symbolslcsh:Crystallographyvan der Waals forceBenzenedistorted tetrahedral geometryCobaltIUCrData
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Crystal structure of chlorido(2-{1-[2-(4-chlorophenyl)hydrazin-1-ylidene-κN]ethyl}pyridine-κN)(η5-pentamethylcyclopentadienyl)rhodium(III) chloride

2015

The title compound, [Rh(η5-C5Me5)Cl(C13H12ClN3)]Cl, is chiral at the metal and crystallizes as a racemate. Upon coordination, the hydrazinyl­idene­pyridine ligand is non-planar, an angle of 54.42 (7)° being observed between the pyridine ring and the aromatic ring of the [2-(4-chloro­phen­yl)hydrazin-1-yl­idene]ethyl group.

crystal structureNanotechnologyCrystal structureRing (chemistry)Medicinal chemistryResearch CommunicationsMetalpenta­methyl­cyclo­penta­dien­yllcsh:Chemistrychemistry.chemical_compoundPyridinepiano-stool geometryGeneral Materials SciencepentamethylcyclopentadienylEthyl grouprhodium(III) complexN—H⋯Cl hydrogen bondHydrogen bondLigandGeneral ChemistryRhodium(III) chlorideN—H...Cl hydrogen bondCondensed Matter Physicschemistrylcsh:QD1-999visual_artvisual_art.visual_art_mediumActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of catena-poly[[[(2-ethoxypyrazine-κN)copper(I)]-di-μ2-cyanido] [copper(I)-μ2-cyanido]]

2019

The title compound, {[Cu(EtOpz)(CN)2][CuCN]}n, where EtOpz is 2-eth­oxy­pyrazine, is a two-dimensional polymeric copper complex with different coordination environments of the two CuI ions. One Cu atom is coordinated to the 2-eth­oxy­pyrazine mol­ecule and two bridging cyanide ligands, equally disordered over two sites. The second Cu atom is coordinated by two disordered over two sites bridging cyanide groups. Two copper–cyanide chains are connected through Cu⋯Cu contact.

crystal structurePyrazineCyanidechemistry.chemical_elementeth­oxy­pyrazineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCoordination complexmetal–organic frameworkchemistry.chemical_compoundAtomGeneral Materials ScienceCoordination geometrychemistry.chemical_classificationCrystallographyethoxypyrazinecyanidesGeneral ChemistryCondensed Matter PhysicsCoppercopper(I)0104 chemical sciencesCrystallographychemistryQD901-999Metal-organic frameworkActa Crystallographica Section E Crystallographic Communications
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Crystal structures of three mercury(II) complexes [HgCl2L] where L is a bidentate chiral imine ligand

2015

Three complexes synthesized by coordination of chiral imines to HgCl2 have been characterized, in which the tetra­hedral HgII centre has a geometry strongly distorted towards the disphenoidal geometry.

crystal structureSchiff baseDenticitymercuryStereochemistryIminechemistry.chemical_elementGeneral ChemistryCrystal structureLarge rangeBite angleCondensed Matter PhysicsResearch CommunicationsMercury (element)lcsh:Chemistrychemistry.chemical_compoundCrystallographySchiff basechemistrylcsh:QD1-999General Materials Sciencedisphenoidal geometryCoordination geometryActa Crystallographica Section E: Crystallographic Communications
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Geometrical and conformational preferences of the 9‐fluorenylmethoxycarbonyl‐amino moiety

2004

Structural parameters, originating from x-ray crystallographic data, have been compiled for 13 derivatives of amino acids, peptides and related compounds, which contain a total of 14 Fmoc-NH- moieties. For these moieties, molecular geometries and conformations--described by the omegao, theta1, theta2 and theta3' torsion angles--were analysed and compared with the corresponding parameters for the Z-NH- and Boc-NH-moieties (290 and 553, respectively). To gain a deeper insight into the conformational features of the Fmoc-NH- moiety, ab initio free molecule calculations were performed for fully relaxed minima. Also the potential energy surface as a function of the torsion angles (theta3', theta…

crystal structureStereochemistryAb initioMolecular ConformationCrystal structureCrystallography X-RayBiochemistryBoc amino protectionStructure-Activity RelationshipfluoreneStructural BiologyAb initio quantum chemistry methodsDrug DiscoveryMoleculeMoietyurethane geometryFmoc amino protectionAmino AcidsMolecular BiologyPharmacologyFluorenesMolecular StructureChemistryHydrogen bondab initio calculationsOrganic ChemistryHydrogen BondingGeneral MedicineZ amino protectionMolecular geometryPotential energy surfaceMolecular MedicineCrystallizationPeptidesN‐terminally protected peptidesJournal of Peptide Science
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Crystal structure of bis(cyclohexylammonium) diphenyldioxalatostannate(IV)

2015

In the title salt, (CyNH3)2[Sn(Ph2)(C2O4)2] (Cy is cyclo­hexyl and Ph is phen­yl), the SnPh2 moiety is chelated by two oxalate anions, leading to a cis arrangement within the distorted octa­hedral coordination sphere of the SnIV atom.

crystal structureStereochemistryOxalic acidcyclo­hexyl­ammoniumorganotin(IV) compoundSalt (chemistry)Crystal structureMedicinal chemistryOxalateResearch CommunicationsCrystalchemistry.chemical_compoundMoietyGeneral Materials ScienceCoordination geometrychemistry.chemical_classificationCrystallographycis arrangementHydrogen bondoxalate ligandsGeneral ChemistryCondensed Matter PhysicschemistryQD901-999N—H...O hydrogen bondingN—H⋯O hydrogen bondingcyclohexylammoniumActa Crystallographica Section E: Crystallographic Communications
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