Search results for "Inorganic & Nuclear"

showing 10 items of 143 documents

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 and Hirshfeld surface analysis of 1-(2,4-dichlorobenzyl)-5-methyl-N-(thiophene-2-sulfonyl)-1H-pyrazole-3-carboxamide

2018

In the title compound, C16H13Cl2N3O3S2, the thiophene ring is disordered in a 0.762 (3):0.238 (3) ratio by an approximate 180° rotation of the ring around the S—C bond linking the ring to the sulfonyl unit. The dichlorobenzene group is also disordered over two sets of sites with the same occupancy ratio. The molecular conformation is stabilized by intramolecular C—H...Cl and C—H...N hydrogen bonds, forming rings with graph-set notation S(5). In the crystal, pairs of molecules are linked by N—H...O and C—H...O hydrogen bonds, forming inversion dimers with graph-set notation R 2 2(8) and R 1 2(11), which are connected by C—H...O hydrogen-bonding interactions into ribbons parallel to (100). Th…

crystal structureDimer1H-pyrazole ringStackingThio-Crystal structurePyrazole010403 inorganic & nuclear chemistryRing (chemistry)01 natural scienceslcsh:Chemistrychemistry.chemical_compoundthiophene ringGeneral Materials ScienceSulfonylchemistry.chemical_classification010405 organic chemistryHydrogen bondChemistrydisorderGeneral ChemistrydimerCondensed Matter Physics0104 chemical sciencesCrystallographylcsh:QD1-999hydrogen-bonding patternsActa 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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Crystal structures of two platinum(II) complexes containing ethyl eugenoxyacetate and 2-amino-pyridine.

2017

The synthesis and crystal structures of two platinum(II) complexes containing one or two Cl atoms, an eugenol derivative and 2-amino­pyridine as ligand are described. The central PtII atom displays a distorted square-planar coordination.

crystal structureDouble bondStereochemistryPopulationDihedral angle010402 general chemistry010403 inorganic & nuclear chemistryRing (chemistry)01 natural sciencesResearch Communicationschemistry.chemical_compoundPyridineGeneral Materials Science2-aminopyridineeducationchemistry.chemical_classificationeducation.field_of_studyCrystallographyChemistryHydrogen bondLigandAromaticity2-amino­pyridineGeneral ChemistryCondensed Matter Physics0104 chemical sciencesCrystallographyQD901-999eugenolplatinum(II) complexes
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N,N′-Bis(pyridin-2-yl)octanediamide

2016

The complete molecule of the title compound, C18H22N4O2, is generated by crystallographic inversion symmetry. In the crystal, N—H...N hydrogen bonds connect the molecules into [010] chains, which featureR22(8) loops. The packing is consolidated by C—H...O interactions.

crystal structureHydrogen bondAdamantaneadamantaneGeneral MedicineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistryhydrogen bonding01 natural sciences0104 chemical sciencesCrystalCrystallographychemistry.chemical_compoundchemistryanti­viral effectslcsh:QD901-999lcsh:CrystallographyMOF self-assemblyantiviral effectsIUCrData
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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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Crystal structure and Hirshfeld surface analysis of 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide

2019

Akkurt, Mehmet/0000-0003-2421-0929; Saylam, Merve/0000-0002-7602-4565

crystal structureHydrogen bondGeneral ChemistryCrystal structureDihedral angleCondensed Matter::Mesoscopic Systems and Quantum Hall Effecthydrogen bonding010402 general chemistry010403 inorganic & nuclear chemistryCondensed Matter PhysicsRing (chemistry)01 natural sciences13-benzoxazole ring system0104 chemical scienceslcsh:ChemistryCrystaldimerschemistry.chemical_compoundCrystallographylcsh:QD1-999chemistryHirshfeld surface analysisGeneral Materials ScienceBenzeneAcetamideActa 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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2,2′-Bipyridin-1-ium hemioxalate oxalic acid monohydrate

2018

The asymmetric unit of the title compound, C10H9N2 +·0.5C2O4 2−·C2H2O4·H2O, consists of a 2,2′-bipyridinium cation, half an oxalate dianion, one oxalic acid and one water molecule. One N atom in 2,2′-bipyridine is unprotonated, while the second is protonated and forms an N—H...O hydrogen bond. In the crystal, the anions are connected with surrounding acid molecules and water molecules by strong near-linear O—H...O hydrogen bonds. The water molecules are located between the anions and oxalic acids; their O atoms participate as donors and acceptors, respectively, in O—H...O hydrogen bonds, which form sheets arranged parallel to the ac plane.

crystal structureHydrogen bondOxalic acid2ProtonationGeneral MedicineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesOxalate0104 chemical sciencesCrystalchemistry.chemical_compoundCrystallographychemistryhydrogen bondsPyridineAtomlcsh:QD901-99922′-bipyridiniumlcsh:Crystallography2 0 -bipyridiniumIUCrData
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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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