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1.
Karel Mach Jií Kubita Ivana Císaov Petr tpni
ka 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m116-m118
Reacting stoichiometric amounts of 1‐(diphenylphosphino)ferrocenecarboxylic acid and [Ti(η5‐C5HMe4)2(η2‐Me3SiC[triple‐bond]CSiMe3)] produced the title carboxylatotitanocene complex, [{μ‐1κ2O,O′:2(η5)‐C5H4CO2}{2(η5)‐C5H4P(C6H5)2}{1(η5)‐C5H(CH3)4}2FeIITiIII] or [FeTi(C9H13)2(C6H4O2)(C17H14P)]. The angle subtended by the Ti/O/O′ plane, where O and O′ are the donor atoms of the κ2‐carboxylate group, and the plane of the carboxyl‐substituted ferrocene cyclopentadienyl is 24.93 (6)°. 相似文献
2.
Petr tpni
ka Ivana Císaov Michal Hor
ek Karel Mach 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1204-1205
The title compound, (η5‐cyclopentadienyl)[(1,2,3,4,5‐η)‐4‐ferrocenyl‐1,2,5,6‐tetrakis(trimethylsilyl)cyclohexa‐2,4‐dien‐1‐yl]titanium(II), [TiFe(C5H5)2(C23H42Si4)] or [Ti{η5‐C6H2{Fe(η5‐C5H4)(η5‐C5H5)}{Si(CH3)3}4}(η5‐C5H5)], possesses two directly linked metallocene units that subtend an angle of 52.9 (1)° (defined by the least‐squares planes of the directly connected π‐ligands) associated with the steric requirements of the bulky trimethylsilyl substituents. The cyclohexadienyl ligand adopts an envelope conformation; the perpendicular distance of its η5‐plane to the Ti atom is 1.512 (1) Å. 相似文献
3.
Brian J. Grimmond Joyce Y. Corey Nigam P. Rath 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):53-55
The first title metallocene, 1,3‐bis(dichlorotitanocene)‐1,1,3,3‐tetramethyldisiloxane dichloromethane solvate, [(η5‐C5H5)TiCl2(η5‐C5H4SiMe2)]2O·CH2Cl2, (I), crystallizes in space group P21/c. Compound (I) represents the first crystal structure of a bimetallic siloxy‐bridged titanocene. The geometric parameters of (I) are similar to those of the parent titanocene; however, the disiloxane substituents adopt an unexpected eclipsed conformation. The second title metallocene, 1,3‐bis[(pentamethylcyclopentadienyl)(cyclopentadienyl)titanium dichloride]‐1,1,3,3‐tetramethyldisiloxane, [(η5‐C5‐Me5)TiCl2(η5‐C5H4SiMe2)]2O, (II), represents the second crystal structure of a bimetallic siloxy‐bridged titanocene and crystallizes in the space group P21/n. Compound (I) possesses non‐crystallographic twofold molecular symmetry and both metal centers adopt pseudo‐tetrahedral geometries. The geometric parameters of (II) are similar to those of the mixed titanocene Cp*CpTiCl2 (Cp* = C5Me5) and the disiloxane substituents adopt a staggered conformation. 相似文献
4.
Ramn Macías Simon A. Barrett Jonathan Bould Udo Drfler Josef Holub John D. Kennedy Mark Thornton‐Pett Bohumil tíbr 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):520-522
Neutral 8‐(5‐iodo‐n‐pentyl)‐3‐(η5‐pentamethylcyclopentadienyl)‐arachno‐3‐rhoda‐7,8‐dithiaundecaborane, [Rh(C5H19B8IS2)(C10H15)], obtained from the [arachno‐7,8‐S2B9H10]? anion by treatment with I(CH2)5I followed by [Rh(C5Me5)Cl2]2 and N,N,N′,N′‐tetramethyl‐1,8‐diaminonaphthalene, has the 11‐vertex cluster geometry of [arachno‐7,8‐S2B9H10]?, but with an {Rh(C5Me5)} unit in the 3‐position instead of a {BH} unit, and with a –(CH2)5I chain attached exo to an S atom. 相似文献
5.
Won Seok Han Soon W. Lee 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):m189-m190
In the title compound, azido‐2κN‐bis[μ‐(1η5:2κP)‐diphenylphosphinocyclopentadienyl][2(η5)‐pentamethylcyclopentadienyl]iron(III)rhodium(III) hexafluorophosphate, [{Rh(C10H15)(N3)}{Fe(μ‐C17H14P)2}]PF6 or [FeRh(C10H15)(μ‐C17H14P)2(N3)]PF6, the coordination sphere of RhIII can be described as pseudo‐tetrahedral, composed of two P atoms from a 1,1′‐bis(diphenylphosphino)ferrocene (dppf) ligand, an azido N atom and the centroid of the ring of a C5Me5 (Cp*) ligand. The two cyclopentadienyl rings in the dppf moiety adopt an eclipsed conformation. The Rh⋯Fe distance is 4.340 (2) Å. 相似文献
6.
Stephen Barlow Michael W. Day Seth R. Marder 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):303-304
The 1‐(2,3,4,5,1′,2′,3′,4′‐octamethylferrocen‐1‐yl)‐3‐(ruthenocenyl)allylium cation readily undergoes one‐electron oxidation to a dication in which an octamethylferrocenium moiety is bridged by a vinylene group to a [(η6‐fulvene)(η5‐cyclopentadienyl)ruthenium]+ moiety. In the title compound, 1‐(2,3,4,5,1′,2′,3′,4′‐octamethylferrocen‐1‐yl)‐3‐(ruthenocenylidene)prop‐1‐enium(2+) bis(tetrafluoroborate), [FeRu(C5H5)(C9H13)(C17H19)](BF4)2, the C—C bond lengths in the bridge (average for two independent molecules) are, starting from the ipso octamethylferrocenium carbon and ending at the exo carbon of the coordinated fulvene, 1.455 (6), 1.344 (3) and 1.449 (8) Å, indicating a localized electronic structure. 相似文献
7.
Reijo Sillanp Jordi Llop Clara Vias Francecs Teixidor Raikko Kiveks 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):900-901
In the title compound, (η5‐2,5‐dimethylpyrrolyl)[(7,8,9,10,11‐η)‐7‐methyl‐7,8‐dicarba‐nido‐undecaborato]cobalt(III), [3‐Co{η5‐[2,5‐(CH3)2‐NC4H2]}‐1‐CH3‐1,2‐C2B9H10] or [Co(C3H13B9)(C6H8N)], the CoIII atom is sandwiched between the pentagonal faces of the pyrrolyl and dicarbollide ligands, resulting in a neutral molecule. The C—C distance in the dicarbollide cage is 1.649 (3) Å. 相似文献
8.
Dorcas M. M. Farrell George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):o6-o8
In the hydrated adduct N,N′‐dimethylpiperazine‐1,4‐diium bis(3‐carboxy‐2,3‐dihydroxypropanoate) dihydrate, [MeNH(CH2CH2)2NHMe]2+·2(C4H5O6)?·2H2O or C6H16N22+·2C4H5O6?·2H2O, formed between racemic tartaric acid and N,N′‐dimethylpiperazine (triclinic P, Z′ = 0.5), the cations lie across centres of inversion. The anions alone form chains, and anions and water molecules together form sheets; the sheets are linked by the cations to form a pillared‐layer framework. The supramolecular architecture thus takes the form of a family of N‐dimensional N‐component structures having N = 1, 2 or 3. 相似文献
9.
Tim Kemmitt Graeme J. Gainsford Hana Robson‐Marsden 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(5):m310-m312
The title compound, bis(2,2′‐methyliminodiethanolato)‐1κ3O,N,O′;3κ3O,N,O′‐di‐μ3‐propane‐1,3‐diolato‐1:2:3κ8O:O,O′:O′‐μ‐propane‐1,3‐diolato‐1:3κ2O:O′‐propane‐1,3‐diolato‐2κ2O,O′‐trititanium(IV), [Ti3(C5H11NO2)2(C3H6O2)4], has four 1,3‐propanediolate ligands binding in three different modes. Two ligands chelate adjacent Ti atoms with normal μ3‐O bridges, giving typical edge‐sharing of the Ti distorted octahedra, one chelating to the central Ti atom with no μ‐bridging, and the other spanning the cluster, binding only to the outermost Ti atoms. The two methyliminodiethanolate ligands each coordinate to the outer Ti atoms via their N and two O atoms. The Ti—O bond lengths range, in a self‐consistent fashion, from 1.816 (2) to 2.082 (2) Å, while the average Ti—N distance is 2.391 (3) Å. 相似文献
10.
Dale C. Swenson Vasu Nair Sanjib Bera 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e343-e345
We have synthesized two isomeric dideoxynucleosides. 4(S)‐(6‐Amino‐9H‐purin‐9‐yl)‐3‐methylene‐2,3,4,5‐tetrahydrofuran‐2(S)‐ylmethanol, C11H13N5O2, is an analogue of the anti‐HIV compound (S,S)‐isodideoxyadenosine (isoDDA) with an exocyclic methylene group and is found to be anti‐HIV inactive. The solid‐state comformation is very similar to that of isoDDA. 4(S)‐(6‐Amino‐3H‐purin‐3‐yl)‐3‐methylene‐2,3,4,5‐tetrahydrofuran‐2(S)‐ylmethanol, C11H13N5O2, has an isomeric arrangement of the carbohydrate and base moieties, as confirmed by the crystal structure analysis. The asymmetric unit contains two independent molecules that differ in conformations at the sugar moiety. 相似文献
11.
Jrg Saßmannshausen Jrg Rust Richard Goddard 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e236-e237
The title compound, [Zr(C7H7)3(C15H17)], (I), crystallizes from light petroleum with two independent molecules in the asymmetric unit. Whereas in the parent molecule, Zr(η5‐C5H5)(CH2Ph)3, all three Zr—CH2Ph angles are equal, in (I), they differ significantly. In spite of their different environments, both independent molecules in (I) exhibit a small, an expected, and a large Zr—CH2Ph angle. The angles are similar to those of the closely related tribenzyl[η5‐(benzyldimethylsilyl)cyclopentadienyl]zirconium complex. The smallest Zr—CH2Ph angle and the consequently relatively short Zr?Cipso distance are indicative of η2‐bonding of the benzyl group. 相似文献
12.
Mustafa OdabasÛoglu igdem Albayrak Orhan Büyükgüngr Peter Lnnecke 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o616-o619
The title compounds, 2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO4, (I), 6‐hydroxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C11H15NO5, (II), and 6‐methoxy‐2‐{[tris(hydroxymethyl)methyl]aminomethylene}cyclohexa‐3,5‐dien‐1(2H)‐one, C12H17NO5, (III), adopt the keto–amine tautomeric form, with the formal hydroxy H atom located on the N atom, and the NH group and oxo O atom display a strong intramolecular N—H⋯O hydrogen bond. The N—H⋯O hydrogen‐bonded rings are almost planar and coupled with the cyclohexadiene rings. The carbonyl O atoms accept two other H atoms from the alcohol groups of adjacent molecules in (I), and one from the alcohol and one from the phenol group in (II), but from only one alcohol H atom in (III). 相似文献
13.
Tim Kemmitt Graeme J. Gainsford Najeh I. Al‐Salim 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(2):m42-m43
The title compound, octa‐tert‐butoxybis[μ3‐2,2′‐(N‐methylimino)diethanolato]di‐μ‐oxo‐tetratitanium(IV), [Ti2O{(OCH2CH2)2(NCH3)}{(CH3)3CO}4]2 or [Ti4(C5H11NO2)2(C4H9O)8O2], lies about an inversion centre, and displays the less usual zigzag configuration. One O atom of the N‐methyldiethoxoamine ligand bridges the symmetry‐related Ti atoms, while the other bridges the two independent Ti atoms, with the N atom binding to give a facial configuration. Four tBuO− ligands and a bridging oxide complete the respective five‐ and sixfold coordination of the two Ti atoms. The Ti—O bond lengths range in a self‐consistent fashion from 1.7624 (17) to 2.0878 (18) Å, while the Ti—N bond length is 2.374 (2) Å. 相似文献
14.
Gabriele Albertin Stefano Antoniutti Jesús Castro Francesca Sibilla 《无机化学与普通化学杂志》2019,645(8):638-644
Imine complexes [IrCl(η5‐C5Me5){κ1‐NH=C(H)Ar}{P(OR)3}]BPh4 ( 1 , 2 ) (Ar = C6H5, 4‐CH3C6H4; R = Me, Et) were prepared by allowing chloro complexes [IrCl2(η5‐C5Me5){P(OR)3}] to react with benzyl azides ArCH2N3. Bis(imine) complexes [Ir(η5‐C5Me5){κ1‐NH=C(H)Ar}2{P(OR)3}](BPh4)2 ( 3 , 4 ) were also prepared by reacting [IrCl2(η5‐C5Me5){P(OR)3}] first with AgOTf and then with benzyl azide. Depending on the experimental conditions, treatment of the dinuclear complex [IrCl2(η5‐C5Me5)]2 with benzyl azide yielded mono‐ [IrCl2(η5‐C5Me5){κ1‐NH=C(H)Ar}] ( 5 ) and bis‐[IrCl(η5‐C5Me5){κ1‐NH=C(H)Ar}2]BPh4 ( 6 ) imine derivatives. In contrast, treatment of chloro complexes [IrCl2(η5‐C5Me5){P(OR)3}] with phenyl azide C6H5N3 gave amine derivatives [IrCl(η5‐C5Me5)(C6H5NH2){P(OR)3}]BPh4 ( 7 , 8 ). The complexes were characterized spectroscopically (IR, NMR) and by X‐ray crystal structure determination of [IrCl(η5‐C5Me5){κ1‐NH=C(H)C6H4‐4‐CH3}{P(OEt)3}]BPh4 ( 2b ). 相似文献
15.
Avelino Martín Miguel Mena Adrin Prez‐Redondo Carlos Ylamos 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):m157-m159
The reaction of the imide–nitride complex [{Ti(η5‐C5Me5)(μ‐NH)}3(μ3‐N)] with potassium iodide in pyridine at room temperature affords the adduct di‐μ‐iodido‐1:1′κ4I‐bis{tri‐μ3‐imido‐1:2:3κ3N;1:2:4κ3N;1:3:4κ3N‐μ3‐nitrido‐2:3:4κ3N‐tris[2,3,4(η5)‐pentamethylcyclopentadienyl](pyridine‐1κN)‐tetrahedro‐potassiumtrititanium(IV)}, [K2Ti6(C10H15)6I2N2(NH)6(C5H5N)2] or [(C5H5N)(μ‐I)K{(μ3‐NH)3Ti3(η5‐C5Me5)3(μ3‐N)}]2. The crystal structure contains two [KTi3N4] cube‐type units held together by two bridging I atoms. There is a centre of inversion located in the middle of this unprecedented discrete K2I2 unit. The geometry around K is best described as distorted trigonal prismatic, with three imide groups, two bridging I atoms and one pyridine ligand. 相似文献
16.
Uwe‐Christoph Knig Michael Berkei Frank Neikes Hans Preut Terence Nigel Mitchell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):324-326
The single‐crystal X‐ray structure determinations of the title complexes, cis‐dichloro‐trans‐dimethyl‐cis‐bis(N‐methylpyrrolidin‐2‐one‐O)tin(IV), [Sn(CH3)2Cl2(C5H9NO)2], cis‐dibromo‐trans‐dimethyl‐cis‐bis(N‐methylpyrrolidin‐2‐one‐O)tin(IV), [SnBr2(CH3)2(C5H9NO)2], and cis‐diiodo‐trans‐dimethyl‐cis‐bis(N‐methylpyrrolidin‐2‐one‐O)tin(IV), [Sn(CH3)2I2(C5H9NO)2], show that those tin complexes in which coordination of the lactam ligand to SnIV is realized via oxygen exhibit a distorted octahedral geometry. 相似文献
17.
Jiang‐Lin Fang Wei Huang Suchada Chantrapromma S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Shao‐Hua Gou Hong‐Sen Wang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1429-1430
A donor–acceptor compound, diaqua‐1κO,2κO‐[μ‐11,23‐dimethyl‐3,7,15,19‐tetraazatricyclo[19.3.1.19,13]hexacosa‐1(25),2,7,9,11,13(26),14,19,21,23‐decaene‐25,26‐diolato‐1κ4N3,N7,O25,O26:2κ4N15,N19,O25,O26]dizinc(II) diperchlorate bis(8‐methylquinoline) ethanol disolvate, [Zn2(C24H26N4O2)(H2O)2](ClO4)2·2C10H9N·2C2H6O, obtained by the reaction of a dinuclear zinc(II) complex of a Robson macrocycle (acceptor) and 8‐methylquinoline (donor), lies about an inversion centre and the coordination about the unique Zn atom is a distorted square pyramid. The fifth coordination site is occupied by the water molecule, Zn—O = 2.016 (2) Å, and the average macrocyclic Zn—O and Zn—N distances are 2.059 (6) and 2.059 (3) Å, respectively. 相似文献
18.
Uwe‐Christoph Knig Michael Berkei Claudia Hirsch Hans Preut Terence Nigel Mitchell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e450-e451
The synthesis and the X‐ray structural analysis of the title compound, μ‐chloro‐1:2κ2Cl‐trichloro‐1κCl,2κ2Cl‐tetramethyl‐1κ2C,2κ2C‐(N‐methylpyrrolidin‐2‐one)‐1κO‐ditin(IV), [Sn2Cl4(CH3)4(C5H9NO)], are described. The title compound is found to exhibit a distorted trigonal–bipyramidal geometry at both SnIV atoms. The Sn—Cl—Sn angle involving the bridging chlorine ligand is 135.56 (5)°, with the Sn—Cl bond lengths being 2.5704 (13) and 3.1159 (13) Å. 相似文献
19.
Karl Hensen Bjrn Spangenberg Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1245-1246
The product of the addition reaction of 1,1,1,4,4,4‐hexachloro‐1,4‐disilabutane with N‐methylimidazole is μ‐ethylene‐C1:C2‐bis[dichlorotris(1‐methylimidazole‐N3)silicon(IV)] dichloride, C26H40Cl4N12Si22+·2Cl?. Two of the six Cl atoms are replaced by aromatic nitrogen bases and the coordination sphere of silicon is extended from four to six. The molecule is located on a crystallographic centre of inversion. The environment around the Si atom can be described as a slightly distorted octahedron with the Cl atoms occupying axial positions and the three N‐methylimidazole ligands and the ethylene bridge in the equatorial plane. 相似文献
20.
Catherine Corbier Claude Didierjean Laurent Thvenet Regis Vanderesse Michel Marraud 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):995-996
The pseudodipeptide, (S)‐N‐isopropyl {[N‐(pivaloyl)pyrrolidin‐2‐yl]methylaminooxy}acetamide, C15H29N3O3, adopts a global extended conformation with the hydroxylamine group in the g+/g? structure. The C‐terminal amide NH interacts intramolecularly with the hydroxylamine O atom. Both NH bonds of each molecule are hydrogen bonded to the C‐terminal amide carbonyl of a neighbouring molecule. 相似文献