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1.
Kai Liang Yi‐Zhi Li He‐Gen Zheng Xin‐Quan Xin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m310-m312
In the title compound, [1,4‐bis(diphenylphosphino)butane‐2κ2P,P′]di‐μ‐thio‐1:2κ4S‐dithio‐1κ2S‐palladium(II)tungsten(VI) N,N′‐dimethylformamide hemisolvate hemihydrate, [PdWS4(C28H28P2)]·0.5C3H7NO·0.5H2O, the Pd atom is coordinated by two S atoms from the distorted‐tetrahedral [WS4]2− anion and two P atoms from the dppb molecule [dppb is 1,4‐bis(diphenylphosphino)butane] in an approximately square‐planar configuration. A puckered seven‐membered ring is formed by the Pd atom and the dppb ligand. 相似文献
2.
Peter D. W. Boyd Clifton E. F. Rickard Kingsley J. Cavell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):e16-e18
The structures of a series of four‐coordinate nickel(II) complexes of the form [Ni(sacsac)L] PF6 (sacsac = pentane‐2,4‐dithione anion; L = (Ph2P)2(CH2)n, n = 1,2,3) have beendetermined. These are [bis(diphenylphosphino)methane](pentane‐2,4‐dithionato‐S,S′)nickel(II) hexafluorophosphate, [Ni(C25H22P2)(C5H7S2)]PF6, [1,2‐bis(diphenylphosphino)ethane](pentane‐2,4‐dithionato–S,S′)nickel(II) hexafluorophosphate, [Ni(C26H24P2)(C5H7S2)]PF6, and [1,3‐bis(diphenylphosphino)propane](pentane‐2,4‐dithionato‐S,S′)nickel(II) hexafluorophosphate, [Ni(C27H26P2)(C5H7S2)]PF6. All have a distorted square‐planar arrangement about Ni with angles around Ni varying with the length of the hydrocarbon chain. 相似文献
3.
Tullio Pilati Gianluigi Casalone 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(3):o178-o180
The title diastereoisomers, methyl 5‐(S)‐[2‐(S)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate and methyl 5‐(S)‐[2‐(R)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate, both C19H23N3O5, have been studied in two crystalline forms. The first form, methyl 5‐(S)‐[2‐(S)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate–methyl 5‐(S)‐[2‐(R)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate (1/1), 2(S),5(S)‐C19H23N3O5·2(R),5(S)‐C19H23N3O5, contains both S,S and S,R isomers, while the second, methyl 5‐(S)‐[2‐(S)‐methoxycarbonyl)‐2,3,4,5‐tetrahydropyrrol‐1‐ylcarbonyl]‐1‐(4‐methylphenyl)‐4,5‐dihydropyrazole‐3‐carboxylate, 2(S),5(S)‐C19H23N3O5, is the pure S,S isomer. The S,S isomers in the two structures show very similar geometries, the maximum difference being about 15° on one torsion angle. The differences between the S,S and S,R isomers, apart from those due to the inversion of one chiral centre, are more remarkable, and are partially due to a possible rotational disorder of the 2‐(methoxycarbonyl)tetrahydropyrrole group. 相似文献
4.
Andrzej Gzella Maria D. Rozwadowska 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):981-982
The absolute configuration of the title compound, alternatively called (+)‐(4,5‐dihydro‐2,5‐diphenyloxazol‐4‐yl)methanol, C16H15NO2, has been confirmed as 4S,5S. The hydroxymethyl group and phenyl ring at the asymmetric C atoms exhibit β and α orientations, respectively. The exocyclic C—C bonds at the asymmetric C atoms are mutually anticlinal (?ac). The hydroxyl group and the N atom of the oxazoline ring are involved in an intermolecular hydrogen bond leading to chains of molecules. 相似文献
5.
Dmitrii S. Yufit Judith A. K. Howard 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):o141-o143
The crystal structures of (1R,1′S)‐2′,2′‐dichloro‐N‐(1‐phenylethyl)cyclopropane‐1′‐carboxamide, C12H13Cl2NO, (I), and (1R,1′R)‐2′,2′‐difluoro‐N‐(1‐phenylethyl)cyclopropane‐1′‐carboxamide, C12H13F2NO, (II), have been determined. Both crystals contain two independent molecules with different conformations of the phenylethyl groups. In the crystals of both compounds, the molecules are linked together by N—H⃛O hydrogen bonds, thus forming chains in the a direction. 相似文献
6.
Janet M. S. Skakle James L. Wardell Solange M. S. V. Wardell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):787-789
Molecules of diphenyl(2‐thioxo‐1,3‐dithiole‐4,5‐dithiolato‐S,S′)plumbane, [Pb(C3S5)(C6H5)2], are linked into sheets via two intermolecular Pb?Sthione interactions of 3.322 (4) and 3.827 (4) Å; the Pb centre has a distorted octahedral geometry. In contrast, molecules of diphenyl(2‐thioxo‐1,3‐dithiole‐4,5‐dithiolato‐S,S′)stannane, [Sn(C3S5)(C6H5)2], are linked into chains via a single intermolecular Sn—Sthione interaction of 2.8174 (9) Å; the Sn centre has a distorted trigonal‐bipyramidal geometry. 相似文献
7.
Won K. Seok Li J. Zhang Konstantin Karaghiosoff Thomas M. Klaptke Peter Mayer 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m439-m441
The trichloro‐bridged dinuclear RuII complex tri‐μ‐chloro‐bis{[1,1,1‐tris(diphenylphosphinomethyl)ethane‐κ3P,P′,P′′]ruthenium(II)} hexafluorophosphate ethanol solvate, [Ru2Cl3(tripod)2]PF6·C2H6O, containing the tripod [1,1,1‐tris(diphenylphosphinomethyl)ethane, C41H39P3] ligand, was unexpectedly obtained from the reaction of [RuIIICl3(tripod)] with 1,4‐bis(diphenylphosphino)butane (dppb), followed by precipitation with NH4PF6. The magnetic moment of the compound at room temperature indicates that the dinuclear [Ru2(μ‐Cl)3(tripod)2]+ cation is diamagnetic. A single‐crystal X‐ray structure determination revealed that the two Ru atoms are bridged by the three Cl atoms. The coordination sphere of each Ru atom is completed by the three P atoms of a tripod ligand. The two P3Ru units are exactly eclipsed, while the bridging Cl atoms are staggered with respect to the six P atoms. The Ru⋯Ru distance is 3.3997 (7) Å and the mean Cl—Ru—Cl bond angle is 77.7°. 相似文献
8.
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
9.
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
10.
Yong Nie Chun‐Hua Hu Xue Li Wei Yong Jian‐Min Dou Jie Sun Ruo‐Shui Jin Pei‐Ju Zheng 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):897-899
Each of the title compounds, 8‐methoxy‐7,7‐bis(triphenylphosphine‐P)‐8,9:10,11‐di‐μH‐7‐platina‐nido‐undecaborane dichloromethane hemisolvate, [Pt(CH14B10O)(C18H15P)2]·0.5CH2Cl2, (I), 8‐isopropoxy‐7,7‐bis(triphenylphosphine‐P)‐8,9:10,11‐di‐μH‐7‐platina‐nido‐undecaborane dichloromethane solvate, [Pt(C3H18B10O)(C18H15P)2]·CH2Cl2, (II), and 9‐isopropoxy‐7,7‐bis(triphenylphosphine‐P)‐8,9:10,11‐di‐μH‐7‐platina‐nido‐undecaborane dichloromethane solvate, [Pt(C3H18B10O)(C18H15P)2]·CH2Cl2, (III), has an 11‐vertex nido polyhedral skeleton, with the 7‐platinum centre ligating to two exo‐polyhedral PPh3 groups and an alkoxy‐substituted polyhedral borane ligand. Compounds (II) and (III) are isomers. The Pt—B distances are in the range 2.214 (7)–2.303 (7) Å for (I), 2.178 (16)–2.326 (16) Å for (II) and 2.205 (6)–2.327 (6) Å for (III). 相似文献
11.
Margarita Ortiz‐Marciales Melvin De Jesús Eduvigis Gonzlez Raphael G. Raptis Peter Baran 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):o173-o175
The reaction of (S)‐α,α‐diphenylprolinol with an excess of borane–tetrahydrofuran complex yields a stable crystalline material with the composition C34H38B2N2O2, which features a borane adduct of a spirocyclic structure with two oxazaborolidine rings joined by a central tetrahedral B atom. This dimeric oxazaborolidine complex, viz. 3,3,3′,3′‐tetraphenyl‐1,1′‐spirobi(3a,4,5,6‐tetrahydro‐3H‐pyrrolo[1,2‐c][1,3,2]oxazaborole)–7‐borane, is the dominant product under various reaction conditions; its crystal structure is consistent with 11B, 1H and 13C NMR and IR analyses. 相似文献
12.
Manfred Zabel Josef Breu Franz Rau Klaus‐Jürgen Range Volker Krey Anka Uffrecht Armin Buschauer 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):250-251
The structural information gained from the study of the chiral building block (R)‐(?)‐4‐(3,4‐dichlorophenyl)‐4‐(2‐pyridyl)butanoic acid–l ‐(?)‐ephedrine [methyl(1‐hydroxy‐1‐phenylprop‐2‐yl)ammonium 4‐(3,4‐dichlorophenyl)‐4‐(2‐pyridyl)butanoate], C10H16NO+·C15H12Cl2NO2?, can be used to deduce the absolute configuration of highly potent arpromidine‐type histamine H2 receptor agonists, as the chiral butanoic acid can be converted to (R)‐(?)‐3‐(3,4‐dichlorophenyl)‐3‐(2‐pyridyl)propylamine and to the corresponding R‐configured arpromidine analogue. 相似文献
13.
V. H. Rodrigues M. M. R. R. Costa E. de Matos Gomes E. Nogueira M. S. Belslsey 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):o699-o701
In the 1:1 adduct formed between l ‐phenylalanine and 4‐nitrophenol [alternative IUPAC name: (2S)‐2‐ammonio‐3‐phenylpropanoate–4‐nitrophenol (1/1)], C9H11NO2·C6H5NO3, the l ‐phenylalanine molecule is in the zwitterionic state. The overall structure is stabilized via strong hydrogen bonding between polar zones and van der Waals interactions between non‐polar zones, which alternate with the polar zones. 相似文献
14.
Makoto Eishima Shigeru Ohba Masumi Suzuki Chiaki Nagasawa Takeshi Sugai 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1391-1393
In the racemic crystals of (1S,2R)‐ or (1R,2S)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (I), the enantiomeric molecules form a dimeric structure via the N—H?O cyclic hydrogen bond of the carbamoyl moieties. In the chiral crystals of (—)‐(1S,2R)‐1‐[N‐(chloroacetyl)carbamoylamino]‐2,3‐dihydro‐1H‐inden‐2‐yl chloroacetate, C14H14Cl2N2O4, (II), the N—H?O intermolecular hydrogen bond forms a zigzag chain around the twofold screw axis. The melting points and calculated densities of (I) and (II) are 446 and 396 K, and 1.481 and 1.445 Mg m?3, respectively. 相似文献
15.
Choudhury M. Zakaria George Ferguson Alan J. Lough Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):914-917
In ferrocene‐1,1′‐diylbis(diphenylmethanol)–4,4′‐ethylenedipyridine (1/1), [Fe(C18H15O)2]·C12H12N2, there is an intramolecular O—H?O hydrogen bond in the ferrocenediol component and a single O—H?N hydrogen bond linking the two components into a finite monomeric adduct. Ferrocene‐1,1′‐diylbis(diphenylmethanol)–ethylenediamine (1/1), [Fe(C18H15O)2]·C2H8N2, crystallizes with Z′ = 2 in space group P, and there are two independent four‐component aggregates in the structure, both of which are centrosymmetric. In the first type of aggregate, the molecular components are linked by O—H?N and N—H?O hydrogen bonds, in which both diamine N atoms participate; in the second type of aggregate, the diamine component is disordered over two sets of sites, but only one N atom is involved in the hydrogen bonding. 相似文献
16.
G. Von Poelhsitz B. L. Rodrigues A. A. Batista 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):m424-m427
The crystal structures of [1,3‐bis(diphenylphosphino)ethane‐κ2P,P′](pyridine‐2‐sulfinato‐κ2N,S)(pyridine‐2‐thiolato‐κ2N,S)ruthenium(II), [Ru(C5H4NO2S)0.33(C5H4NS)1.67(C26H24P2)] or [Ru(pySO2)1−x(pyS)1+x(dppe)] (x = 0.67), (I), and [1,3‐bis(diphenylphosphino)propane‐κ2P,P′](pyridine‐2‐sulfinato‐κ2N,S)(pyridine‐2‐thiolato‐κ2N,S)ruthenium(II), [Ru(C5H4NO2S)0.355(C5H4NS)1.645(C27H26P2)] or [Ru(pySO2)1−x(pyS)1+x(dppp)] (x = 0.645), (II), are composed of neutral distorted octahedral RuII complexes with chelating pyridine‐2‐thiolate, pyridine‐2‐sulfinate and biphosphine ligands. The S atoms are trans to each other, while pairs of P and N atoms are in cis positions. Partial double‐bond character is observed for C—S. The crystal packing consists of monolayers stabilized by C—H⋯O and C—H⋯S interactions, and is affected by the alkyl‐chain lengths. 相似文献
17.
Kevin A. Bunten David H. Farrar Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(6):e267-e267
The title compound, BINAP oxide, C44H32O2P2, (I), was synthesized by direct oxidation of (R)‐(+)‐2,2′‐bis(diphenylphosphino)‐1,1′‐binaphthyl (BINAP) with tert‐butyl hydroperoxide in toluene solution. The angle between the naphthyl planes of the binaphthyl group is 94.17 (3)°. 相似文献
18.
Robert J. Hinkle Robert McDonald 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o117-o121
The crystal structures of [(Z)‐2‐methylbut‐1‐en‐1‐yl][4‐(trifluoromethyl)phenyl]iodonium trifluoromethanesulfonate, C12H13F3I+·CF3O3S?, (I), (3,5‐dichlorophenyl)[(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium trifluoromethanesulfonate, C11H12Cl2I+·CF3O3S?, (II), and bis{[3,5‐bis(trifluoromethyl)phenyl][(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate, 2C13H12F6I+·2CF3O3S?·CH2Cl2, (III), are described. Neither simple acyclic β,β‐dialkyl‐substituted alkenyl(aryl)idonium salts nor a series containing electron‐deficient aryl rings have been described prior to this work. Compounds (I)–(III) were found to have distorted square‐planar geometries, with each I atom interacting with two trifluoromethanesulfonate counter‐ions. 相似文献
19.
Li‐Ming Wu Ling Chen Jingcao Dai Ping Lin Wen‐Xin Du Xin‐Tao Wu 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e382-e382
The title compound, [Sn(C5H5NS)2(C2H4S2)2], was obtained from a 1:2 mixture of bis(ethane‐1,2‐dithiolato)tin(IV) and 2‐mercaptopyridine. The molecules are discrete monomeric trans‐octahedral units, with the SnIV atom at the centre of symmetry, planar 2‐mercaptopyridine zwitterions and SnS2C2 groups in twist–envelope conformations. The 2‐mercaptopyridine ligands are monodentate and are bonded through the S atoms. The S—Sn distances between the S atom of edt (edt is ethane‐1,2‐dithiolate) and the Sn atom are 2.473 (1) and 2.505 (1) Å, which are slightly longer than the S—Sn distance in Sn(edt)2 of 2.390 (1) Å. The bond between the 2‐mercaptopyridine S atom and the Sn atom are, remarkably, weaker than the S—Sn bond involving edt. 相似文献
20.
Jaime Vzquez Sylvain Berns Ruth Melndrez Roberto Portillo Ren Gutirrez 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):m424-m427
The title compounds, trans‐dichlorobis[(1R,2R,3R,5S)‐(−)‐2,6,6‐trimethylbicyclo[3.1.1]heptan‐3‐amine]palladium(II), [PdCl2(C10H19N)2], and trans‐dichlorobis[(1S,2S,3S,5R)‐(+)‐2,6,6‐trimethylbicyclo[3.1.1]heptan‐3‐amine]palladium(II) hemihydrate, [PdCl2(C10H19N)2]·0.5H2O, present different arrangements of the amine ligands coordinated to PdII, viz. antiperiplanar in the former case and (−)anticlinal in the latter. The hemihydrate is an inclusion compound, with a Pd coordination complex and disordered water molecules residing on crystallographic twofold axes. The crystal structure for the hemihydrate includes a short Pd⋯Pd separation of 3.4133 (13) Å. 相似文献