Search results for "Research Communication"

showing 10 items of 97 documents

Crystal structure of 1-(2-fluoro­benzo­yl)-2,7-di­meth­oxy­naphthalene

2014

The asymmetric unit of the compound contains two independent conformers. Each conformer is stacked along the a axis to form columns through van der Waals inter­actions only.

crystal structureCrystallographyAromaticityGeneral ChemistryCrystal structureDihedral angleCondensed Matter PhysicsRing (chemistry)Bioinformatics1-aroyl­naphthalene compoundResearch Communicationschemistry.chemical_compoundsymbols.namesakeCrystallographynon-coplanarly accumulated aromatic rings structurechemistryQD901-999symbolsMoleculeGeneral Materials Sciencevan der Waals forceConformational isomerism1-aroylnaphthalene compoundNaphthalenespatial organizationActa Crystallographica Section E: Structure Reports Online
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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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Crystal structure of (2E)-3-[4-(dimethylamino)phenyl]-1-(thiophen-2-yl)prop-2-en-1-one

2017

In the title chalcone-thio­phene derivative, the dihedral angle between the aromatic and the thio­phene rings is 11.4 (2)°. In the crystal, mol­ecules are linked by C—H⋯O and C—H⋯S weak inter­actions along [100], forming rings of R22(8) graph-set motif, by C—H⋯O weak inter­actions along [010], forming C(6) chains, and by weak H(meth­yl–group)⋯Cg(thio­phene ring) inter­actions into dimers; the crystal packing resembles a herringbone arrangement when viewed along [100]. A mol­ecular docking calculation of the title compound with the neuraminidase enzyme was carried out.

crystal structureCrystallographyin silico evaluationStereochemistryChemistryThio-General ChemistryCrystal structureDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter Physicschalcone thiophene derivative01 natural sciencesResearch Communications0104 chemical sciencesCrystallographyQD901-999Hirshfeld surface analysisGeneral Materials Sciencechalcone thio­phene derivativeActa Crystallographica Section E Crystallographic Communications
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Crystal structure of 5-benzyl-8-bromo-2-methyl-1,3-oxazolo[4,5-c][1,8]naphthyridin-4(5H)-one

2017

The structure of an oxazolonaphthyridinone derivative unexpectedly formed during the synthesis of pyridodiazepinediones is reported.

crystal structureCrystallographypi-pi stacking010405 organic chemistryoxazolonaphthyridoneStackingGeneral ChemistryCrystal structureDihedral angle010402 general chemistryCondensed Matter PhysicsRing (chemistry)01 natural sciences0104 chemical sciencesResearch Communicationsbenzodiazepine drugsCrystalchemistry.chemical_compoundCrystallographychemistryQD901-999General Materials Scienceπ–π stackingDerivative (chemistry)Acta Crystallographica Section E: Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of 3-octyl-4-oxo-2,6-bis(3,4,5-trimethoxyphenyl)piperidinium chloride

2018

The title compound was synthesized by a one-pot Mannich condensation reaction. In the crystal, centrosymmetric dimers are linked into layers parallel to (011) by N—H⋯Cl and C—H⋯Cl hydrogen bonds. A Hirshfeld surface analysis indicates that O—H (20.5%) inter­actions make the largest contribution to the crystal packing.

crystal structureCyclohexane conformationCrystal structure010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesMedicinal chemistryChlorideResearch CommunicationsCrystalchemistry.chemical_compoundMannich reactionmedicineHirshfeld surface analysisGeneral Materials ScienceBenzeneMannich reactionCrystallography010405 organic chemistryHydrogen bondChemistryGeneral ChemistryCondensed Matter Physics0104 chemical sciencesQD901-999piperidine-4-onemedicine.drugActa Crystallographica Section E Crystallographic Communications
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Crystal structure and Hirshfeld surface analysis of poly[[bis[μ4-N,N′-(1,3,5-oxadiazinane-3,5-diyl)bis(carbamoylmethanoato)]nickel(II)tetrapotassium]…

2021

The complex nickel(II) anion comprises a pseudomacrocyclic hydrazide-based ligand with an L shape. In the crystal, such anions are connected with the potassium cations and the water solvent mol­ecules, forming a three-dimensional polymeric framework, which is stabilized by an extensive system of hydrogen bonds.

crystal structureCyclohexane conformationshape analysischemistry.chemical_elementCrystal structure010402 general chemistryRing (chemistry)01 natural sciencesResearch Communicationspseudomacrocyclic ligandchemistry.chemical_compoundtemplate reactionSHAPE analysisAmidehirshfeld surface analysisHirshfeld surface analysisGeneral Materials ScienceCrystallography010405 organic chemistryHydrogen bondnickel(ii) complexGeneral ChemistryCondensed Matter Physicsnickel(II) complex3. Good health0104 chemical sciencesTemplate reactionNickelCrystallographychemistryQD901-999Hydratehydrazide-based ligand
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Crystal structure ofcis-1-phenyl-8-(pyridin-2-ylmethyl)dibenzo[1,2-c:2,1-h]-2,14-dioxa-8-aza-1-borabicyclo[4.4.0]deca-3,8-diene

2017

The present work describes the synthesis and crystal structure of the new B-phenyl­oxaza­borocine, C26H23BN2O2. The title compound adopts a zwitterionic form with a significant intra­molecular N→B dative bond and inter­molecular C—H⋯O inter­actions connecting mol­ecules parallel to the b axis.

crystal structureC—H...O interactionsDieneStereochemistrychemistry.chemical_elementManganeseCrystal structureRelated derivatives010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch Communications//purl.org/becyt/ford/1 [https]CrystalB-phenyldioxazaborocinechemistry.chemical_compoundzwitterionic heterocycleB-PhenyldioxazaborocineN-B Dative Bond//purl.org/becyt/ford/1.4 [https]General Materials ScienceZwitterionic HeterocycleCrystallographyC-Ho InteractionsHydrogen bondChemistryOtras Ciencias QuímicasCiencias QuímicasN—B dative bondGeneral ChemistryCondensed Matter Physics0104 chemical sciencesB-phenyl­dioxaza­borocineC—H⋯O inter­actionsQD901-999Tripodal ligandCrystal StructureCIENCIAS NATURALES Y EXACTASDeca-Acta Crystallographica Section E Crystallographic Communications
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Crystal structure of the bis(cyclohexylammonium) succinate succinic acid salt adduct

2015

The title salt adduct comprises two cyclo­hexyl­ammonium cations, one succinate anion and one mol­ecule of succinic acid, linked together through inter­molecular hydrogen-bonding inter­actions giving a two-dimensional layer-like self-assembly lying parallel to (010).

crystal structureDenticityStereochemistryCyclohexane conformationSalt (chemistry)cyclo­hexyl­ammonium cationCrystal structureMedicinal chemistryResearch CommunicationsAdductchemistry.chemical_compoundsuccinic acidGeneral Materials Sciencecyclohexylammonium cationchemistry.chemical_classificationCrystallographymolecular adductHydrogen bondChemistryGeneral ChemistryCondensed Matter PhysicssuccinateAmmonium SuccinateSuccinic acidQD901-999hydrogen bondsorganic saltmol­ecular adductActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of bis-(azido-κN)bis[2,5-bis(pyridin-2-yl)-1,3,4-thia-diazole-κ(2) N (2),N (3)]cobalt(II).

2015

The structure of the title compound is isotypic with that of the analogous nickel(II) complex, in which the CoN6 core shows an axially weakly compressed octa­hedral geometry as opposed to the almost regular geometry exhibited by the NiN6 octa­hedron.

crystal structureDenticityStereochemistryπ–π inter­actionsCrystal structuretransition metalResearch Communicationslcsh:Chemistrychemistry.chemical_compoundazide compounds25-bis­(pyridin-2-yl)-134-thia­diazole ligandPyridineGeneral Materials ScienceChemistryLigandGeneral ChemistryCondensed Matter Physicshydrogen bondingCrystallographylcsh:QD1-99925-bis(pyridin-2-yl)-134-thiadiazole ligandπ–π interactionsDiazoleSodium azideAzideTrifluoromethanesulfonateActa crystallographica. Section E, Crystallographic communications
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Crystal structure of the diglycidyl ether of eugenol

2017

The diep­oxy monomer (DGE-Eu) was synthesized from eugenol by a three-step reaction. It consists of a 1,2,4-tris­ubstituted benzene ring substituted by diglycidyl ether, a meth­oxy group and a methyl­oxirane group. The three-membered oxirane rings are inclined to the benzene ring by 61.0 (3) and 27.9 (3)°. In the crystal, mol­ecules are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane.

crystal structureDiglycidyl etherEpoxideep­oxy thermoset prepolymer02 engineering and technologyCrystal structure010402 general chemistryRing (chemistry)01 natural scienceseugenol derivativeResearch CommunicationsCrystalchemistry.chemical_compound[ CHIM.CRIS ] Chemical Sciences/CristallographyPolymer chemistry[CHIM.CRIS]Chemical Sciences/Cristallography[CHIM]Chemical SciencesGeneral Materials Science[CHIM.CRIS] Chemical Sciences/CristallographyBenzeneComputingMilieux_MISCELLANEOUSbio-based mol­eculebio-based moleculeCrystallographyHydrogen bondGeneral Chemistry[PHYS.MECA]Physics [physics]/Mechanics [physics]021001 nanoscience & nanotechnologyCondensed Matter Physicshydrogen bonding3. Good health0104 chemical sciencesCrystallographyMonomerchemistryQD901-999oxiraneepoxy thermoset prepolymer[PHYS.MECA] Physics [physics]/Mechanics [physics]0210 nano-technology
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