ChemInform Abstract: Molecular Structure of Nitrobenzene in the Planar and Orthogonal Conformations. A Concerted Study by Electron Diffraction, X-Ray Crystallography, and MO Calculations.

ChemInform ◽  
1990 ◽  
Vol 21 (1) ◽  
Author(s):  
A. DOMENICANO ◽  
G. SCHULTZ ◽  
I. HARGITTAI ◽  
M. COLAPIETRO ◽  
G. PORTALONE ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Mo Calculations ◽  
X Ray ◽  
X Ray Crystallography

Elektronenbeugungsbestimmung der Molekülstruktur von 4-Fluor-2′,4′,6′ -trimethylbiphenyl / Molecular Structure of 4-Fluoro-2′,4′,6′-trimethylbiphenyl Determined by Electron Diffraction

1977 ◽  
Vol 32 (4) ◽  
pp. 420-425 ◽  
Author(s):  
K. Zeitz ◽  
H. Oberhammer ◽  
G. Häfelinger
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Crystalline State ◽  
Structural Data ◽  
Gaseous State ◽  
X Ray ◽  
X Ray Crystallography ◽  
Phenyl Rings ◽  
Derivatives Of ◽  
Good Agreement

The molecular structure of gaseous 4-fluoro-2′,4′,6′-trimethylbiphenyl was determined by electron diffraction. The average of two independend determinations leads to the following parameters for the structure:CC(ring) = 1.398(1),CC(methyl) = 1.522(5), CH(ring) = 1.082(6), CH(methyl) = CH(ring) + 0.015 = 1.097(6), CF = 1.324(7), Cl-Cl′ = 1.488(9) (inter ring bond), ∢(C,C,H) = 109.9(1.8)° (angle of methylgroup tetrahedra), α = 124.9(0.6)° (angle of ortho-methyl-groups towards the inter ring bond), φ = 77.5(2.1)° (angle of torsion between the planes of the two phenyl rings) which are in good agreement with respect to known structural data on biphenylderivatives. A very interesting result is the angle of torsion with 77.5° which is by 6.5° smaller than the value of 84(1)° determined by X-ray crystallography for the corresponding 4-iodo-compound in the crystalline state1. In all determinations known to us til now for comparable derivatives of biphenyl the angle of torsion was found larger in the gaseous state than in the crystalline state.

scholarly journals Structural Characterization of Heterodinuclear ZnII-LnIII Complexes (Ln = Pr, Nd) with a Ring-Contracted H2valdien-Derived Schiff Base Ligand

2021 ◽  
Author(s):  
Shabana Noor ◽  
Richard Goddard ◽  
Fehmeeda Khatoon ◽  
Sarvendra Kumar ◽  
Rüdiger W. Seidel
Keyword(s):  
Molecular Structure ◽  
Schiff Base ◽  
Structural Characterization ◽  
Schiff Base Ligand ◽  
Crystal And Molecular Structure ◽  
X Ray ◽  
X Ray Crystallography ◽  
Imidazoline Ring

AbstractSynthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes with the formula [ZnLn(HL)(µ-OAc)(NO3)2(H2O)x(MeOH)1-x]NO3 · n H2O · n MeOH [Ln = Pr (1), Nd (2)] and the crystal and molecular structure of [ZnNd(HL)(µ-OAc)(NO3)2(H2O)] [ZnNd(HL)(OAc)(NO3)2(H2O)](NO3)2 · n H2O · n MeOH (3) are reported. The asymmetrical compartmental ligand (E)-2-(1-(2-((2-hydroxy-3-methoxybenzylidene)amino)-ethyl)imidazolidin-2-yl)-6-methoxyphenol (H2L) is formed from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation, resulting in a peripheral imidazoline ring. The structures of 1–3 were revealed by X-ray crystallography. The smaller ZnII ion occupies the inner N2O2 compartment of the ligand, whereas the larger and more oxophilic LnIII ions are found in the outer O2O2’ site. Graphic Abstract Synthesis and structural characterization of two heterodinuclear ZnII-LnIII complexes (Ln = Pr, Nd) bearing an asymmetrical compartmental ligand formed in situ from N1,N3-bis(3-methoxysalicylidene)diethylenetriamine (H2valdien) through intramolecular aminal formation are reported.

Crystal and molecular structure of trans-[RhCl(CO)(PtBu2Ph)2]

2018 ◽  
Vol 73 (12) ◽  
pp. 1029-1032
Author(s):  
Peter Mayer ◽  
Hans-Christian Böttcher
Keyword(s):  
Molecular Structure ◽  
Ir Spectroscopy ◽  
Crystal And Molecular Structure ◽  
Title Complex ◽  
High Yield ◽  
X Ray ◽  
Carbonyl Ligands ◽  
Pale Yellow ◽  
X Ray Crystallography ◽  
Type Complex

AbstractTreatment of THF solutions containing the rhodium(II) complex trans-[RhCl2(PtBu2Ph)2] (1) with [Fe2(CO)9] in the same solvent resulted in the formation of the Vaska-type complex trans-[RhCl(CO)(PtBu2Ph)2] (2) in high yield. The title complex 2 was obtained as pale yellow crystals, characterized by NMR and IR spectroscopy, as well as by microanalyses. Additionally, the molecular structure of 2 has been established by X-ray crystallography. As often reported for similar constituted compounds, the chlorido and carbonyl ligands in crystals of 2 are strongly disordered.

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