1,721,012 research outputs found

    THE CRYSTAL-STRUCTURE OF PT(II)-TRANS-[(BIS-TRICYCLOHEXYLPHOSPHINE)-(ETA-1-HYDRO-FORMYL-TER-BUTYL AMIDO)(HYDRIDE)]

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    The title compound, C43H79O2NPt, crystallizes in the monoclinic system, space group P2(1)/c, with a = 20.444(8) angstrom, b = 12.220(4) angstrom, c = 18.303(7) angstrom, beta = 101.6(4), Z = 4. The coordination of Pt is slightly distorted square-planar, the backbone of the hydro-aldoamidic ligand is almost planar; its mean plane is orthogonal to the coordination plane of Pt. The crystal structure has been refined to R = 0.054 for 3518 observed reflections

    Synthesis, characterization and crystal structure of [Pt(Me)(dppe){eta(1)-CH(PPh3)(COOEt)}]BF4. An example of overcrowded molecule and correlated properties

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    The complex [Pt(Me)(dppe){eta1-CH(PPh3)(COOEt)}]BF4 has been synthesized and characterized spectroscopically and structurally. It crystallizes in the space group P21/n, with lattice constants a=14.525(3) Å , b=14.931(3) Å , c=21.921(4) Å , beta=103.47(3)°. The X-ray analysis revealed a particularly overcrowded molecular structure containing high stereochemical constraints. The structural features account for specific chemical and physical properties of this compound, thus representing an interesting example of applied crystallography

    Molecular conformations and pi-hydrogen bonds in anti- and syn- binuclear Rh(I) complexes of as-indacene-diide: a computational study

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    Ab initio calculations are employed to interpret the different conformations in mono- and bi-nuclear Rh(I) derivatives of as-indacene, observed by X-ray crystallography. In particular, we discuss the quite unusual COD (1,5-cyclooctadiene) group orientation in the homo-bimetallic complex anti-{2,7-dimethyl-as-indacene-diide-[Rh(COD)]2}, which is related to the metal hapticity and is stabilised by the presence of π-hydrogen bonds between olefin protons of COD and the π-electron cloud of the six-membered ring of the bridging ligand. Finally, the structure of syn-{2,7-dimethyl-as-indacene-diide-[Rh(COD)]2} is treated where mainly steric constraints appear to control the spatial disposition of the ancillary ligands. Second-order perturbative natural bond orbital (NBO) analysis provides a meaningful picture of non-covalent intramolecular C–H⋯C(π) interactions

    Further crystallographic evidence of NH center dot center dot center dot pi(system) and CO center dot center dot center dot pi(system) interactions: The structures of bis(diarylhydrazonecarbonyl)methylene derivatives [{ArPhC=NNH-C(O)}2CH2] (Ar = Ph, 2-C5H4N, 2-C4H3S)

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    In this study are reported the syntheses of three bis(diarylhydrazonecarbonyl)methylene derivatives [{ArPhC=NNH-C(O)}2CH2] [Ar = 2-C5H4N (5), C6H5 (6), and 2-C4H3S (7)], obtained by condensation of corresponding hydrazones with carbon suboxide, C3O2. The solid-state self-assembly of these carbonyl derivatives, giving rise to polymeric and dimeric networks, is described. In the formation of these structural features, in addition to N-H...O=C intermolecular hydrogen bonds, stabilizing intramolecular NH...pi (systems) and intermolecular CO...p (systems) interactions also seem to play an important role. Solution 1H-nmr data of compounds 5–7 indicate that the polymeric and dimeric structures are not maintained in solution and show the occurrence of keto-enolic equilibria

    REACTIONS OF C3O2 WITH STABILIZED TRIPHENYLPHOSPHORANES PH(3)P=CHX (X=CN, COME, COPH)

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    Linear neutral compound like 1 or zwitterionic heterocycles like 2 form exclusively from the reaction of C3O2 with the phosphorus ylides Ph3P =CHX (X = CN for 1, and COMe or COPh for 2) bearing an H atom on the ylidic C atom. In contrast to earlier investigations, neither Wittig reactions nor the formation of cyclobutanediones were observed
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