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1.
Ralph A. Zehnder Shane M. Peper Brian L. Scott Wolfgang H. Runde 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):i3-i5
The title compound was obtained by reacting UO2 powder in 2 M K2CO3 with hydrogen peroxide. The compound contains individual [U(CO3)2O2(O2)]4− ions, which are linked via an extended network of K atoms and hydrogen bonding. The U atom is coordinated to two trans‐axial O atoms and six O atoms in the equatorial plane, forming distorted hexagonal bipyramids. The carbonate ligands are bound to the U center in a bidentate manner, with U—O bond distances ranging from 2.438 (5) to 2.488 (5) Å. The peroxo group forms a three‐membered ring with the U atom, with U—O bond distances of 2.256 (6) and 2.240 (6) Å. The U=O bond distances of 1.806 (5) and 1.817 (5) Å, and an O—U—O angle of 175.3 (3)° are characteristic of the linear uranyl(VI) unit. 相似文献
2.
Colin R. Wilson Orde Q. Munro 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):o513-o516
The crystal structures of two para‐substituted aryl derivatives of pyridine‐2‐carboxamide, namely N‐(4‐fluorophenyl)pyridine‐2‐carboxamide, C12H9FN2O, (I), and N‐(4‐nitrophenyl)pyridine‐2‐carboxamide, C12H9N3O3, (II), have been studied. Compound (I) exhibits unconventional aryl–carbonyl C—H...O and pyridine–fluorine C—H...F hydrogen bonding in two dimensions and well defined π‐stacking involving pyridine rings in the third dimension. The conformation of (II) is more nearly planar than that of (I) and the intermolecular interactions comprise one‐dimensional aryl–carbonyl C—H...O hydrogen bonds leading to a stepped or staircase‐like progression of loosely π‐stacked molecules. The close‐packed layers of planar π‐stacked molecules are related by inversion symmetry. Two alternating interplanar separations of 3.439 (1) and 3.476 (1) Å are observed in the crystal lattice and are consistent with a repetitive packing sequence, ABA′B′AB…, for the π‐stacked inversion pairs of (II). 相似文献
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Zun‐Ting Zhang Xin‐Li Cheng 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m529-m531
In the structure of the title compound, [Fe(H2O)6](C17H13O7S)2·8H2O, 16 hydrogen bonds exist between the centrosymmetric [Fe(H2O)6]2+ cation, the isoflavone‐3′‐sulfonate anions and the coordinated and solvent water molecules. π–π stacking interactions between the isoflavone units, hydrogen bonding and electrostatic interactions result in a three‐dimensional supramolecular structure. 相似文献
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Zun‐Ting Zhang Yan‐Chang Wang 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o51-o53
In the lattice of the title compound (systematic name: 5,6,7‐trihydroxy‐4′‐methoxyisoflavone monohydrate), C16H12O6·H2O, the isoflavone molecules are linked into chains through R43(17) motifs composed via O—H⋯O and C—H⋯O hydrogen bonds. Centrosymmetric R42(14) motifs assemble the chains into sheets. Hydrogen‐bonding and aromatic π–π stacking interactions lead to the formation of a three‐dimensional network structure. 相似文献
7.
Robin J. Francis P. Shiv Halasyamani Dermot O'Hare 《Angewandte Chemie (International ed. in English)》1998,37(16):2214-2217
A new series of layered organically templated uranium(IV ) fluorides has been exclusively synthesized under hydrothermal conditions. The unprecedented materials contain [U2F10]2− anionic layers that are separated by charge balancing cationic templates and occluded water molecules (see structure depicted). The templates can be fully ion-exchanged for a variety of metals (Na+, K+, and Co2+) at room temperature. 相似文献
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Xin Yang Jiang Li Xin‐Hua Zhao Hai‐Wen Wang Yong‐Kui Shan 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(4):m171-m173
The title compound, (C10H10N2)2[Fe(C2O4)2(H2O)2](C2HO4)2, appears to be a modular associate consisting of a complex anion containing bivalent Fe as the central atom, a bridging hydrogen oxalate anion and a diprotonated 4,4‐bipyridine acting as the counter‐cation. The FeII ion in the complex anion occupies a position on a centre of inversion. Its coordination environment is formed by six O atoms from two bidentate oxalate ligands, forming a basal plane, and two water molecules approximately perpendicular to the plane, representing a distorted octahedral geometry. These three kinds of ions are connected by strong hydrogen bonds, with donor–acceptor distances (N⋯O and O⋯O) lying in the range 2.54–2.98 Å, and π–π stacking interactions between the 4,4′‐bipyridinium cations, thus forming a three‐dimensional supramolecular structure. 相似文献
10.
Janice M. Rubin‐Preminger Leonid Kozlov Israel Goldberg 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):m83-m86
The title compound, [CoCl(C12H8N2)2(H2O)]Cl·[CoCl2(C12H8N2)2]·6H2O, is the first example of a new 1:1 cocrystal of the octahedral [CoCl2(phen)2] and [CoCl(phen)2(H2O)]+·Cl− complexes (phen is 1,10‐phenanthroline). The latter form heterochiral dimers held by strong π–π stacking interactions via their phenathroline ligands, which confirms that π stacking is an important and reliable synthon in supramolecular design. In addition, the crystal structure is networked by H2O...H2O, H2O...Cl− and H2O...Cl hydrogen bonds, which interconnect the different units of the cobalt complexes. 相似文献
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Synthesis and Crystal Structure of the Heterobimetallic Diorganotindichloride (FcN, N)2SnCl2 (FcN, N—: (η5‐C5H5)Fe{η5‐C5H3[CH(CH3)N(CH3)CH2CH2NMe2]‐2}—) The heterobimetallic title compound [(FcN, N)2SnCl2] ( 1 ) was obtained by the reaction of [LiFcN, N] with SnCl4 in the molar ratio 1:1 in diethylether as a solvent. The two FcN, N— ligands in 1 are bound to Sn through a C‐Sn σ‐bond; the amino N atoms of the side‐chain in FcN, N— remain uncoordinated. The crystals contain monomeric molecules with a pseudo‐tetrahedral coordination at the Sn atom: Space group P21/c; Z = 4, lattice dimensions at —90 °C: a = 9.6425(2), b = 21.7974(6), c = 18.4365(4) Å, β = 100.809(2)°, R1obs· = 0.051, wR2obs· = 0.136. 相似文献
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Ralf Haiges Juri Skotnitzki Zongtang Fang David A. Dixon Karl O. Christe 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2015,127(33):9717-9721
Molybdenum(VI) and tungsten(VI) dioxodiazide, MO2(N3)2 (M=Mo, W), were prepared through fluoride–azide exchange reactions between MO2F2 and Me3SiN3 in SO2 solution. In acetonitrile solution, the fluoride–azide exchange resulted in the isolation of the adducts MO2(N3)2⋅2 CH3CN. The subsequent reaction of MO2(N3)2 with 2,2′‐bipyridine (bipy) gave the bipyridine adducts (bipy)MO2(N3)2. The hydrolysis of (bipy)MoO2(N3)2 resulted in the formation and isolation of [(bipy)MoO2N3]2O. The tetraazido anions [MO2(N3)4]2− were obtained by the reaction of MO2(N3)2 with two equivalents of ionic azide. Most molybdenum(VI) and tungsten(VI) dioxoazides were fully characterized by their vibrational spectra, impact, friction, and thermal sensitivity data and, in the case of (bipy)MoO2(N3)2, (bipy)WO2(N3)2, [PPh4]2[MoO2(N3)4], [PPh4]2[WO2(N3)4], and [(bipy)MoO2N3]2O by their X‐ray crystal structures. 相似文献
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Zun‐Ting Zhang Qian‐Guang Liu Xiao‐Bing Wang Jian‐Bin Zheng Kai‐Bai Yu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):o29-o31
The title compound, 5‐hydroxy‐4′,7‐dimethoxyisoflavone, C17H14O5, is composed of a benzopyranone moiety, a phenyl moiety and two methoxy groups. The benzopyranone ring is not coplanar with the phenyl ring, the dihedral angle between them being 56.28 (3)°. The two methoxy groups are nearly coplanar with their corresponding rings, having C—C—O—C torsion angles of 2.9 (2) and 5.9 (2)°. The molecules are linked by C—H·O hydrogen bonds into sheets containing classical centrosymmetric (8) rings. The sheets are further linked by aromatic π–π stacking interactions and C—H·O hydrogen bonds into a supramolecular structure. 相似文献
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The First Molybdenum(VI) and Tungsten(VI) Oxoazides MO2(N3)2, MO2(N3)2⋅2 CH3CN, (bipy)MO2(N3)2, and [MO2(N3)4]2− (M=Mo,W) 下载免费PDF全文
Ralf Haiges Juri Skotnitzki Zongtang Fang David A. Dixon Karl O. Christe 《Angewandte Chemie (International ed. in English)》2015,54(33):9581-9585
Molybdenum(VI) and tungsten(VI) dioxodiazide, MO2(N3)2 (M=Mo, W), were prepared through fluoride–azide exchange reactions between MO2F2 and Me3SiN3 in SO2 solution. In acetonitrile solution, the fluoride–azide exchange resulted in the isolation of the adducts MO2(N3)2⋅2 CH3CN. The subsequent reaction of MO2(N3)2 with 2,2′‐bipyridine (bipy) gave the bipyridine adducts (bipy)MO2(N3)2. The hydrolysis of (bipy)MoO2(N3)2 resulted in the formation and isolation of [(bipy)MoO2N3]2O. The tetraazido anions [MO2(N3)4]2− were obtained by the reaction of MO2(N3)2 with two equivalents of ionic azide. Most molybdenum(VI) and tungsten(VI) dioxoazides were fully characterized by their vibrational spectra, impact, friction, and thermal sensitivity data and, in the case of (bipy)MoO2(N3)2, (bipy)WO2(N3)2, [PPh4]2[MoO2(N3)4], [PPh4]2[WO2(N3)4], and [(bipy)MoO2N3]2O by their X‐ray crystal structures. 相似文献
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The reaction of ammonium heptamolybdate with hydrazine sulfate in an aqueous solution of glycine at room temperature yielded colorless crystals of (NH4)4[(NH3CH2CO)2(Mo8O28)] · 2 H2O. The crystal is monoclinic, space group C2/c (no. 15), a = 17.234 Å, b = 10.6892 Å, c = 18.598 Å, β = 108.280°, V = 3253.2 Å3, Z = 4. The crystal structure contains ammonium cations and isolated octamolybdate(4–) anions, [(NH3CH2CO)2(Mo8O28)]4–, with two zwitterionic glycine molecules as ligands. 相似文献
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Anthony Linden Tushar S. Basu Baul 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(4):313-325
The diorganotin(IV) complexes of 5‐[(E)‐2‐aryldiazen‐1‐yl]‐2‐hydroxybenzoic acid are of interest because of their structural diversity in the crystalline state and their interesting biological activity. The structures of dimethylbis{2‐hydroxy‐5‐[(E)‐2‐(4‐methylphenyl)diazen‐1‐yl]benzoato}tin(IV), [Sn(CH3)2(C14H11N2O3)2], and di‐n‐butylbis{2‐hydroxy‐5‐[(E)‐2‐(4‐methylphenyl)diazen‐1‐yl]benzoato}tin(IV) benzene hemisolvate, [Sn(C4H9)2(C14H11N2O3)2]·0.5C6H6, exhibit the usual skew‐trapezoidal bipyramidal coordination geometry observed for related complexes of this class. Each structure has two independent molecules of the SnIV complex in the asymmetric unit. In the dimethyltin structure, intermolecular O—H…O hydrogen bonds and a very weak Sn…O interaction link the independent molecules into dimers. The planar carboxylate ligands lend themselves to π–π stacking interactions and the diversity of supramolecular structural motifs formed by these interactions has been examined in detail for these two structures and four closely related analogues. While there are some recurring basic motifs amongst the observed stacking arrangements, such as dimers and step‐like chains, variations through longitudinal slipping and inversion of the direction of the overlay add complexity. The π–π stacking motifs in the two title complexes are combinations of some of those observed in the other structures and are the most complex of the structures examined. 相似文献
17.
Bernard Marciniak Ewa Rozycka‐Sokolowska 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(12):o630-o634
The structure of 4‐methoxy‐1‐naphthol, C11H10O2, (I), contains an intermolecular O—H...O hydrogen bond which links the molecules into a simple C(2) chain running parallel to the shortest crystallographic b axis. This chain is reinforced by intermolecular π–π stacking interactions. Comparisons are drawn between the crystal structure of (I) and those of several of its simple analogues, including 1‐naphthol and some monosubstituted derivatives, and that of its isomer 7‐methoxy‐2‐naphthol. This comparison shows a close similarity in the packing of the molecules of its simple analogues that form π‐stacks along the shortest crystallographic axes. A substantial spatial overlap is observed between adjacent molecules in such stacks. In this group of monosubstituted naphthols, the overlap depends mainly on the position of the substituents carried by the naphthalene moiety, and the extent of the overlap depends on the substituent type. By contrast with (I), in the crystal structure of the isomeric 7‐methoxy‐2‐naphthol there are no O—H...O hydrogen bonds or π–π stacking interactions, and sheets are formed by O—H...π and C—H...π interactions. 相似文献
18.
Mikhail S. Grigoriev Alexandre M. Fedosseev 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(6):m205-m207
The title compounds, Na[{AmO2}(C2H3O2)3], (I), and (CH6N3)[{AmO2}(C4H5O2)3], (II), contain complex anions in which AmO22+ cations are surrounded by three bidentate‐chelating carboxylate groups. The atoms of the AmO2 group and the Na atoms in (I) are situated on threefold axes. All the atoms in (II) occupy general positions. Both compounds are isomorphous with earlier studied analogous compounds of previous members of the actinide (An) series. 相似文献
19.
Carlos E. M. Carvalho Solange M. S. V. Wardell James L. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o28-o32
Molecules of the title compounds N2‐(benzoyloxy)benzamidine, C14H12N2O2, (I), N2‐(2‐hydroxybenzoyloxy)benzamidine, C14H12N2O3, (II), and N2‐benzoyloxy‐2‐hydroxybenzamidine, C14H12N2O3, (III), all have extended chain conformations, with the aryl groups remote from one another. In (I), the molecules are linked into chains by a single N—H⋯N hydrogen bond [H⋯N = 2.15 Å, N⋯N = 3.029 (2) Å and N—H⋯N = 153°] and these chains are linked into sheets by means of aromatic π–π stacking interactions. There is one intramolecular O—H⋯O hydrogen bond in (II), and a combination of one three‐centre N—H⋯(N,O) hydrogen bond [H⋯N = 2.46 Å, H⋯O = 2.31 Å, N⋯N = 3.190 (2) Å, N⋯O = 3.146 (2) Å, N—H⋯N = 138° and N—H⋯O = 154°] and one two‐centre C—H⋯O hydrogen bond [H⋯O = 2.46 Å, C⋯O = 3.405 (2) Å and C—H⋯O = 173°] links the molecules into sheets. In (III), an intramolecular O—H⋯N hydrogen bond and two N—H⋯O hydrogen bonds [H⋯O = 2.26 and 2.10 Å, N⋯O = 2.975 (2) and 2.954 (2) Å, and N—H⋯O = 138 and 163°] link the molecules into sheets. 相似文献
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James L. Wardell Solange M. S. V. Wardell Janet M. S. Skakle John N. Low Christopher Glidewell 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):o428-o430
Molecules of the title compound, C13H9IN2O2, are linked into [010] chains by a single C—H?O hydrogen bond and these chains are linked into (100) sheets by two independent aromatic π–π‐stacking interactions, each involving one of the two substituted arene rings. 相似文献