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End date: 2024 × Start date: 2020 × End date: 2019 × Has files: Yes ×

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    Methyl 5-chloro-2-hydr-oxy-3-(4-methoxyphenyl)-4,6-dimethylbenzoate
    (Chester : International Union of Crystallography, 2009) Adeel, M.; Ali, I.; Langer, P.; Villinger, A.
    In the title compound, C17H17ClO4, the dihedral angle between the mean planes of the two benzene rings is 65.92 (5)°. The methyl ester group lies within the ring plane [deviations of O atoms from the plane = -0.051 (2) and 0.151 (2) Å] due to an intra-molecular O - H⋯O hydrogen bond. In the crystal, molecules are held together by rather weak non-classical inter-molecular C - H⋯O hydrogen bonds, resulting in dimeric units about inversion centers, forming eight- and ten-membered ring systems as R22(8) and R2 2(10) motifs. © Adeel et al. 2009.
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    [1-Dimethylsilyl-2-phenyl-3-(η5-tetramethylcyclopentadienyl) prop-1-en-1-ylκC1](n5-pentamethylcyclopentadienyl)- titanium(III)
    (Chester : International Union of Crystallography, 2009) Lamač, M.; Spannenberg, A.; Arndt, P.; Rosenthal, U.
    The title compound, [Ti(C10H15)(C20H 26Si)], was obtained from the reaction of [Ti{5: 1-C5Me4(CH2)}(5-C 5Me5)] with the alkynylsilane PhC2SiMe 2H. The complex crystallizes with two independent mol-ecules in the asymmetric unit, which differ in the conformation of the propenyl unit, resulting in their having opposite helicity. No inter-molecular inter-actions or inter-actions involving the Si- H bond are present. The observed geometrical parameters are unexceptional compared to known structures of the same type.
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    2-hydroxyethylammonium iodide
    (Chester : International Union of Crystallography, 2014) Kohrt, C.; Spannenberg, A.; Werner, T.
    In the crystal structure of the title salt, C2H 8NO+·I-, N-H⋯O, N-H⋯I and O-H⋯I hydrogen bonds lead to the formation of layers staggered along the c axis.
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    Redetermination of EuScO3
    (Chester : International Union of Crystallography, 2009) Kahlenberg, V.; Maier, D.; Veličkov, B.
    Single crystals of europium(III) scandate(III), with ideal formula EuScO3, were grown from the melt using the micro-pulling-down method. The title compound crystallizes in an ortho-rhom-bic distorted perovskite-type structure, where Eu occupies the eightfold coordinated A sites (site symmetry m) and Sc resides on the centres of corner-sharing [ScO6] octa-hedra (B sites with site symmetry ). The structure of EuScO3 has been reported previously based on powder diffraction data [Liferovich & Mitchell (2004). J. Solid State Chem. 177, 2188-2197]. The results of the current redetermination based on single-crystal diffraction data shows an improvement in the precision of the structral and geometric parameters and reveals a defect-type structure. Site-occupancy refinements indicate an Eu deficiency on the A site coupled with O defects on one of the two O-atom positions. The crystallochemical formula of the investigated sample may thus be written as A(0.032Eu0.968)BScO2.952.
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    Crystal structure of diethyl (E)-2-[(benzofuran-2-yl)methylidene]succinate
    (Chester : International Union of Crystallography, 2015) Schirmer, Marie-Luis; Spannenberg, Anke; Werner, Thomas
    The title compound, C17H18O5, was synthesized by a base-free catalytic Wittig reaction. The mol­ecule consists of a diethyl itaconate unit, which is connected via the 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 the cis and trans eth­oxy­carbonyl 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 the b axis by C-H...O hydrogen bonds.
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    Iodidobis(≠5-penta-methyl-cyclo-penta-dien-yl)titanium(III)
    (Chester : International Union of Crystallography, 2010) Kessler, M.; Spannenberg, A.; Rosenthal, U.
    In the title complex mol-ecule, [Ti(C10H15) 2I], the paramagnetic Ti(III) atom is coordinated by two penta-methyl-cyclo-penta-dienyl (Cp*) ligands and one iodide ligand. The two Cp*ligands are in a staggered orientation. The coordination geometry at the titanium atom can be described as distorted trigonal-planar.
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    Tris(η5-cyclopentadienyl)hafnium(III)
    (Chester : International Union of Crystallography, 2011) Burlakov, V.V.; Arndt, P.; Spannenberg, A.; Rosenthal, U.
    In the crystal structure of the title compound, [Hf(C5H 5)3], three cyclopentadienyl ligands surround the Hf III atom in a trigonal-planar geometry. The molecule lies on a sixfold inversion axis.
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    {N,N-Bis[bis(2,2,2-trifluoroethoxy)phosphanyl]methylamine- κ2 P,P′}bis(η5-cyclopentadienyl) titanium(II)
    (Chester : International Union of Crystallography, 2013) Haehnel, M.; Hansen, S.; Spannenberg, A.; Beweries, T.
    The title compound, [Ti(C5H5)2(C 9H11F12NO4P2)], is a four-membered titanacycle obtained from the reaction of Cp2Ti(η 2-Me3SiC2SiMe3) and CH 3N[P(OCH2CF3)2]2 {N,N-bis[bis(trifluoroethoxy)phosphanyl]methylamine, tfepma}. The Ti II atom is coordinated by two cyclopentadienyl (Cp) ligands and the chelating tfepma ligand in a strongly distorted tetrahedral geometry. The molecule is located on a mirror plane.
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    Dicyclohexylbis(naphthalen-1-ylmethyl)phosphonium chloride chloroform disolvate
    (Chester : International Union of Crystallography, 2012) Gowrisankar, S.; Neumann, H.; Spannenberg, A.; Beller, M.
    In the title solvated phosphonium salt, C34H40P+·Cl -·2CHCl3, the two cyclohexyl and two 1-naphthylmethyl groups at the P atom are in a distorted tetrahedral arrangement [105.26 (6)-113.35 (6)°]. Both cyclohexyl rings adopt a chair conformation. The dihedral angle between the naphthyl ring systems is 74.08 (3)°.
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    Intermolecular hydrogen bonding in isostructural pincer complexes [OH-(t-BuPOCOPt-Bu)MCl] (M = Pd and Pt)
    (Chester : International Union of Crystallography, 2019) Joksch, M.; Spannenberg, A.; Beweries, T.
    In the crystal structure of the isostructural title compounds, namely {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridopalladium(II), [Pd(C22H39O3P2)Cl], 1, and {2,6-bis[(di-tert-butylphosphanyl)oxy]-4-hydroxyphenyl}chloridoplatinum(II), [Pt(C22H39O3P2)Cl], 2, the metal centres are coordinated in a distorted square-planar fashion by the POCOP pincer fragment and the chloride ligand. Both complexes form strong hydrogen-bonded chain structures through an interaction of the OH group in the 4-position of the aromatic POCOP backbone with the halide ligand.