0000000000077590

AUTHOR

Anke Spannenberg

showing 16 related works from this author

1,1′-(Diphosphene-1,2-diyl)bis(2,2,6,6-tetramethylpiperidine)

2017

The title compound, C18H36N2P2, crystallizes in the triclinic space groupP-1 with two independent molecules in the asymmetric unit. Both molecules adopt atransconfiguration of the tetramethylpiperidine units along the P=P axis. The crystal packing is stabilized only by van der Waals interactions.

crystal structurebiologyChemistryStereochemistryDiphospheneCrystal structureTriclinic crystal system010402 general chemistry010403 inorganic & nuclear chemistrybiology.organism_classification01 natural sciencesMedicinal chemistry0104 chemical scienceslow-coordinate trivalent phosphorusCrystalchemistry.chemical_compoundsymbols.namesakeTrans configurationsymbolslcsh:QD901-999TetradiphosphenePiperidinelcsh:Crystallographyvan der Waals forceIUCrData
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Crystal structure of 1-hy­droxy-2,2,6,6-tetra­methyl­piperidin-1-ium tri­fluoro­methane­sulfonate

2015

In the cation of the title salt, C9H20NO+·CF3O3S−, the six-membered heterocyclic ring displays a chair conformation. In the crystal, centrosymmetric pairs of cations and anions are linked by N—H...O and O—H...O hydrogen bonds to form rings with aR44(14) graph-set motif.

chemistry.chemical_classificationcrystal structurebiologyHydrogen bondStereochemistryCyclohexane conformationSalt (chemistry)Methane sulfonateGeneral ChemistryCrystal structureCondensed Matter Physicsbiology.organism_classificationRing (chemistry)hydrogen bondingMedicinal chemistryData ReportsCrystallcsh:Chemistrychemistrylcsh:QD1-999triflateTetraammonium saltGeneral Materials ScienceTEMPOActa Crystallographica Section E: Crystallographic Communications
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1-Diphenylphosphanyl-2-(diphenylphosphoryl)hydrazine

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.

crystal structurelcsh:QD901-999hydrazinelcsh:CrystallographyPN chemistryIUCrData
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1,1-Bis(diphenylphosphoryl)hydrazine

2018

The title compound, C24H22N2O2P2, contains a diphosphazane backbone, as well as a hydrazine entity. The P—N—P diphosphazane unit and the N-amine N atom are almost coplanar, and the O atoms of the Ph2P(O) units are oriented trans to each other with respect to the P...P axis. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of N—H...O hydrogen bonds, forming rings of graph-set motif R22(10).

crystal structurelcsh:QD901-999hydrazinelcsh:CrystallographydiphosphazaneIUCrData
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6,6′-[(3,3′-Di-tert-butyl-5,5′-dimethoxy-1,1′-biphenyl-2,2′-diyl)bis(oxy)]bis(dibenzo[d,f][1,3,2]dioxaphosphepine) benzene monosolvate

2019

The crystal structure of the benzene monosolvate of the well known organic diphosphite ligand BIPHEPHOS, C46H44O8P2·C6H6, is reported for the first time. Single crystals of BIPHEPHOS were obtained from a benzene solution after layering with n-heptane at room temperature. One specific property of this type of diphosphite structure is the twisting of the biphenyl units. In the crystal, C—H...π contacts and π–π stacking interactions [centroid-to-centroid distance = 3.8941 (15) Å] are observed.

biphenyl unitBiphenylTert butylcrystal structureLigandStackingCrystal structureMedicinal chemistrybiphephosCrystalchemistry.chemical_compoundchemistrylcsh:QD901-999diphosphitelcsh:CrystallographyBenzeneIUCrData
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Crystal structure of tricarbon­yl(N-di­phenyl­phosphanyl-N,N′-diisopropyl-P-phenyl­phospho­nous di­amide-κ2 P,P′)cobalt(I) tetra­carbonyl­cobaltate(−…

2014

The title compound {Co(CO)3[Ph2PN(i-Pr)P(Ph)N(H)i-Pr]}[Co(CO)4] is an ionic species consisting of a Co(CO)3[Ph2PN(i-Pr)P(Ph)N(H)i-Pr] cation and a [Co(CO)4] anion.

crystal structureCrystallographyChemistryHydrogen bondmetallacycleTricarbonchemistry.chemical_elementGeneral ChemistryCrystal structureMetallacycleCondensed Matter PhysicsTolueneMedicinal chemistrycobaltResearch Communicationsphosphine ligandchemistry.chemical_compoundQD901-999AmideGeneral Materials ScienceCobaltCoordination geometryActa Crystallographica Section E: Structure Reports Online
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{Bis[2-(diisopropylphosphanyl)ethyl]amine}carbonyl(tetrahydroborato)cobalt(I)

2018

In the structure of title borohydride pincer complex, [Co(BH4)(C16H37NP2)(CO)], the cobalt(I) metal exhibits a distorted square-pyramidal coordination geometry with the basal positions occupied by the P and N atoms of the tridentate ligand and by the C atom of the carbon monoxide ligand. In the crystal, molecules interact only by van der Waals forces.

crystal structureLigandchemistry.chemical_elementcolbalt pincer complesCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryBorohydride01 natural sciencesMedicinal chemistry0104 chemical sciencesPincer movementchemistry.chemical_compoundchemistryborohydridelcsh:QD901-999Amine gas treatinglcsh:CrystallographyCobaltCarbon monoxideCoordination geometryIUCrData
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3-Bromopyridine-2-carbonitrile

2019

The title compound, C6H3BrN2, also known as 3-bromopicolinonitrile, was synthesized by cyanation of 2,3-dibromopyridine. In the solid state, short intermolecular Br...N contacts are observed. Additionally, the crystal packing is consolidated by π–π stacking interactions with centroid–centroid distances of 3.7893 (9) Å.

crystal structureNitrileChemistryStackingSolid-stateGeneral MedicineCrystal structureCyanation3-bromopicolinonitrile23-dibromopyridineCrystalCrystallographychemistry.chemical_compoundPyridinelcsh:QD901-999lcsh:CrystallographycyanationIUCrData
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Tetracarbonyl[N-(diphenylphosphanyl-κP)-N,N′-diisopropyl-P-phenylphosphorus diamide-κP]molybdenum(0) with an unknown solvent

2018

The title complex, [Mo(C24H30N2P2)(CO)4], contains a molybdenum centre bearing a P,P′-cis-chelating Ph2PN(iPr)P(Ph)NH(iPr) and four carbonyl ligands in a distorted octahedral coordination geometry. This results in a nearly planar four-membered metallacycle. In the crystal, molecules are linked by N—H...O and C—H...O hydrogen bonds to form layers parallel to the ac plane. For the final refinement, the contributions of disordered solvent molecules were removed from the diffraction data with SQUEEZE in PLATON [Spek (2015). Acta Cryst. C71, 9–18]. The given chemical formula and other crystal data do not take into account the unknown solvent molecule(s).

crystal structuremolybdenumlcsh:QD901-999lcsh:CrystallographydiphosphazaneIUCrData
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Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate

2015

The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The molecule consists of a diethyl itaconate unit, which is connectedviathe C=C double bond to a benzofuran moiety. The benzofuran ring system (r.m.s. deviation = 0.007 Å) forms dihedral angles of 79.58 (4) and 12.12 (10)° with the mean planes through thecisandtransethoxycarbonyl groups, respectively. An intramolecular C—H...O hydrogen bond involving the O atom of the benzofuran moiety is observed. In the crystal, molecules are linked into ribbons running parallel to thebaxis by C—H...O hydrogen bonds.

chemistry.chemical_classificationcrystal structureCrystallographyDouble bondChemistryStereochemistryHydrogen bondbenzofuranGeneral ChemistryDihedral anglebenzo­furanCondensed Matter PhysicsRing (chemistry)hydrogen bondingMedicinal chemistryData Reportsdienechemistry.chemical_compoundQD901-999FuranWittig reactionMoietyGeneral Materials ScienceWittig reactionCis–trans isomerismActa Crystallographica Section E: Crystallographic Communications
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1-(1-Benzyl-2,5-dimethyl-4-phenyl-1H-pyrrol-3-yl)ethanone

2017

In the title compound, C21H21NO, the dihedral angles between the planes of the phenyl and pyrrole rings are 47.04 (5) and 79.27 (3)°. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H...O hydrogen bonds, forming rings of graph-set motifR22(16).

crystal structureHydrogen bondChemistryStereochemistryCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesPyrrole derivatives0104 chemical sciencesCrystalCrystallographychemistry.chemical_compoundlcsh:QD901-999natural catalystCondensed Matter::Strongly Correlated Electronslcsh:Crystallographypyrrole derivativePyrroleIUCrData
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3-Ethylindan-1-one

2017

The title compound, C11H12O, has been prepared as a side product in the attempted room-temperature synthesis of (E)-1-phenylpent-2-en-1-one. The molecular structure consists of an approximately planar indanone core (r.m.s. deviation = 0.042 Å) with the ethyl group protruding from this plane. In the crystal, centrosymmetrically related molecules are linked into dimers by pairs of C—H...O hydrogen bonds, forming rings ofR22(10) graph-set motif. The dimers are further connected by C—H...π interactions into chains running parallel to [-101].

crystal structureHydrogen bondindanoneCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciences0104 chemical sciencesCrystalchemistry.chemical_compoundCrystallographychemistrySide productlcsh:QD901-999liquidlcsh:CrystallographyEthyl groupIUCrData
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{2-[Bis(2,4-di-tert-butylphenoxy)phosphanyloxy-κP]-3,5-di-tert-butylphenyl-κC1}{3,3′-di-tert-butyl-5,5′-dimethoxy-2,2′-bis[(1,1,2,2-tetraphenylethane…

2016

The molecule of the title compound, [Rh(C42H62O3P)(C74H68O4P2]·2.7C7D8, consists of two phospharhodacyclic substructures sharing the Rh atom, which are formed by coordination/ortho-metallation of a triaryl phosphite, and by the coordination of a rigid bisphosphite, respectively. The metal displays a tetrahedrally distorted square-planar coordination geometry. A tert-butyl group shows rotational disorder over two positions with refined site occupancy of 0.561 (3):0.439 (3). Two partial-occupancy toluene solvent molecules are disordered over two orientations with site occupancies of 0.5:0.3 and 0.5:0.4, respectively. Intramolecular C—H...O hydrogen bonds are observed. In the crystal, complex …

ortho-metallationcrystal structurebisphosphitelcsh:QD901-999lcsh:Crystallographyrhodium(I) complexIUCrData
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Crystal structure of (E)-pent-2-enoic acid

2015

The molecule of the title compound, C5H8O2, a low-melting α,β-unsaturated carboxylic acid, is essentially planar [maximum displacement = 0.0239 (13) Å]. In the crystal, molecules are linked into centrosymmetric dimersviapairs of O—H...O hydrogen bonds.

crystal structurehydrogen bondunsaturated carb­oxy­lic acidHydrogen bondDimerGeneral ChemistryCrystal structureCondensed Matter Physicscomputer.software_genredimerData ReportsCrystallcsh:ChemistryCrystallographychemistry.chemical_compoundPlanarchemistrylcsh:QD1-999General Materials ScienceData miningMaximum displacementcomputerunsaturated carboxylic acidActa Crystallographica Section E: Crystallographic Communications
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5-Methylbenzo[d][2,1,3]selenadiazole

2017

In the crystal of the title compound, C7H6N2Se, the molecules are arranged in rods along theb-axis direction and form dimeric units due to intermolecular Se...N contacts of 2.982 (2) Å. The molecules are further linked by weak π–π stacking interactions between the 2,1,3-selenadiazole and six-membered aromatic rings [centroid–centroid distance = 3.8509 (11) Å and ring slippage = 1.539 (3) Å].

crystal structure010405 organic chemistryStereochemistrySe...N contactsStackingselenadiazoleAromaticityCrystal structure010402 general chemistryRing (chemistry)01 natural sciences0104 chemical sciencesCrystallographychemistry.chemical_compoundchemistryπ–π interactionslcsh:QD901-999Diazolelcsh:CrystallographyIUCrData
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Crystal structure of (1S,2R,4S)-1-[(morpholin-4-yl)methyl]-4-(prop-1-en-2-yl)cyclohexane-1,2-diol

2014

Besides intra­molecular O—H⋯N hydrogen bonds, the crystal structure displays inter­molecular O—H⋯O and C—H⋯O hydrogen bonds linking the mol­ecules into undulating layers parallel to the (01) plane.

Quantitative Biology::Biomoleculescrystal structureCrystallographyHydrogen bondDiolCyclohexane conformationAbsolute configurationGeneral ChemistryCrystal structureCondensed Matter Physicschiral ligand for catalytic enantioselective transformationsResearch CommunicationsHexaneCrystalchemistry.chemical_compoundCrystallographychemistryQD901-999Morpholinehydrogen bondschiral ligand for catalytic enanti­oselective transformationsGeneral Materials SciencePhysics::Chemical Physicsamino-12-diolActa Crystallographica Section E: Crystallographic Communications
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