共查询到20条相似文献,搜索用时 421 毫秒
1.
Abstract The structure of [Fe3O(O2CCH2OMe)6(H2O)3][FeCl4] · 2.5H2O has been determined. The three iron atoms and the μ3-oxo are coplanar. Each carboxylic ligand is bidentate and links two iron atoms in the cluster. The clusters are linked by
intra-trimer hydrogen bonding to form a zigzag motif that forms sheets via hydrogen bonding involving disordered waters of
hydration. The [FeCl4]− anion is intercalated between the hydrogen-bonded sheets. Crystal data: space group P21/n, a = 10.276(2), b = 22.793(5), c = 17.091(3) ?, β = 96.66(3)°, V = 3976(1) ?3, Z = 4, R = 0.0837, wR
2 = 0.1836.
Graphical Abstract The structure of [Fe3O(O2CCH2OMe)6(H2O)3][FeCl4] · 2.5H2O has been determined in which the clusters are linked by intra-trimer hydrogen bonding to form a zigzag motif that forms
sheets via hydrogen bonding involving disordered waters of hydration.
相似文献
2.
Abstract Reaction between p-aminobenzoic acid (HpABA) and Cu(NO3)2 · 2.5H2O in basic MeOH/DMF affords green crystals of the dicopper paddlewheel complex, Cu2(pABA)4(DMF)2 · 2DMF, 1, identified by single crystal X-ray crystallography: triclinic P-1, with a = 10.3728(2) ?, b = 10.617(2) ?, c = 11.128(2) ?, α = 81.705(3)°, β = 79.984(2)°, γ = 65.965(2)° and Z = 2. The crystal structure of 1 reveals that it is the second polymorph of Cu2(pABA)4(DMF)2 · 2DMF and experiments on the stability of 1 indicate that it can be converted to Form I through desolvation followed by exposure to DMF.
Graphical Abstract Crystal structure of a polymorphic discrete dicoppertetracarboxylate is investigated for the conversion between the two forms
influenced by hydrogen bonds.
相似文献
3.
Franck Thétiot Isabelle Sasaki Carine Duhayon Jean-Pascal Sutter 《Journal of chemical crystallography》2009,39(3):225-227
Abstract The 3-D hybrid network [KCl3{H2dabco}] resulted from the assemblage of KCl and [{H2dabco}Cl2] (1,4-diazabicyclo[2.2.2]octane) in H2O. The compound crystallizes in the trigonal space group R-3c with a = b = 16.0437(2) Å, and c = 22.3094(2) Å. The structure consists in polymeric chains of anionic {KCl3}2− linked to {H2dabco}2+ units by hydrogen bonds. Each organic cation establishes such charge-assisted H···Cl interactions with two inorganic arrays
leading to a 3-D network.
Index Abstract Assemblage of KCl and [{H2dabco}Cl2] (1,4-diazabicyclo[2.2.2]octane) in H2O resulted in a 3-D hybrid network of inorganic {KCl3}2− chains H-bonded to bridging organic cations.
相似文献
4.
K. G. Sanjaya Ranmohotti Wendy L. Queen J. Palmer West Don VanDerveer Shiou-Jyh Hwu 《Journal of chemical crystallography》2009,39(4):303-307
Abstract A new barium chlorovanadate, Ba5(V2O7)2Cl2, was isolated by a high-temperature (850 °C) reaction employing a CsCl/RbCl flux. The structure was determined by single
crystal X-ray diffraction methods. This compound crystallizes in an orthorhombic crystal system, Pmmn (No. 59), with a = 11.558(2) ?, b = 15.164(3) ?, c = 10.023(2) ?, Z = 4 and V = 1756.7(6) ?3. The structure of Ba5(V2O7)2Cl2 was determined by full-matrix, least-squares methods with R
1 = 0.0398, wR
2 = 0.1069 and GOF = 1.048 for all data. This new structure can be described as a composite lattice made up of mixed covalent
and ionic moities. The extended framework is orchestrated by stacked [Ba(V2O7)Cl]3− slabs that are interconnected by Ba2+ cations through Ba–O bonds to the [V2O7] units. The Ba2+ and Cl- ions form BN-type “[BaCl]” sheets with pseudo-hexagonal windows that are centered by [V2O7]4− pyrovanadate units.
Graphical Abstract The structure of a new chlorovanadate, Ba5(V2O7)2Cl2, exhibits an interesting BN-type salt lattice that consists of an extended [BaCl] sheet containing pseudo-hexagonal windows
that are centered by [V2O7] pyrovanadate units.
相似文献
5.
D. Michelle Motley Judith A. Walmsley Julio Zukerman-Schpector Edward R. T. Tiekink 《Journal of chemical crystallography》2009,39(5):364-367
Abstract The gold(III) atom in [Au(NH2CH2CH2NH2)Cl2]NO3 is chelated by the ethylenediamine (en) ligand and the approximately square planar geometry is completed by two chloride
atoms. Weak Au···O and Au···Cl contacts are noted above and below the square plane leading to a tetragonally distorted octahedron
for the gold(III) center. Extensive charge-assisted hydrogen bonding of the type N–H···O leads to the formation of a 2-D array
and layers are consolidated into a 3-D network via C–H···O and C–H···Cl contacts. The compound crystallizes in the orthorhombic
space group Pbca with a = 10.3380(11) ?, b = 8.2105(7) ?, c = 19.625(2) ?, and Z = 8.
Index Abstract Square planar complex cations form additional Au···O and Au···Cl interactions to form a tetragonally distorted octahedron
for gold. The ionic components are connected into a 2-D array via charge-assisted N–H···O hydrogen bonding interactions.
相似文献
6.
J. E. Drake M. B. Hursthouse M. E. Light R. Kumar R. Ratnani 《Journal of chemical crystallography》2007,37(6):421-427
The molecular structure of trans-dibromodioxodimethylformamide molybdenum(VI), MoO2Br2(OCHNMe2)2 has been determined. Crystal data: Triclinic, P-1, a = 12.3005(2), b = 15.8763(4), c = 21.1653(6) ?, α = 71.992(1)°, β = 88.966(2)°, γ = 89.999(1)°, V = 3930.1(2) ?, Z = 12. Trans-dibromodioxodimethylformamide molybdenum(VI) was obtained by the reaction of sodium molybdate, HBr and dimethylformamide and
was characterized by IR, and 1H NMR spectroscopy and elemental analysis. 相似文献
7.
Abstract Well-formed dark red single-crystals of the potentially explosive cobalt(III) azido complex [Co(NH3)5N3](N3)2 (nitrogen content: 72.59%) have been grown using a safe small-scale preparation from [Co(NH3)5N3]Cl2 and sodium azide. The complex crystallizes in the orthorhombic system, space group Pnma with unit cell parameters a = 12.921(3) ?, b = 10.346(2) ?, c = 8.0315(16) ?, V = 1,073.7(4) ?3 and Z = 4. Five NH3 ligands and the azide anion surround the Co3+ ion in a nearly perfect octahedral geometry. Two azide anions are non-coordinating, and no water of crystallization is present
in the crystal structure.
Graphical Abstract Well-formed dark red single-crystals of the potentially explosive cobalt(III) azido complex [Co(NH3)5N3](N3)2 (nitrogen content: 72.59%) have been grown using a safe small-scale preparation from [Co(NH3)5N3]Cl2 and sodium azide. Five NH3 ligands and the azide anion surround the Co3+ ion in a nearly perfect octahedral geometry. Two azide anions are non-coordinating, and no water of crystallization is present
in the crystal structure.
相似文献
8.
Eric W. Reinheimer Marc Fourmigué Kim R. Dunbar 《Journal of chemical crystallography》2009,39(10):735-739
Abstract The synthesis and crystal structure of the organic radical-cation salt (o-Me2TTF)I3 is described. The salt crystallizes in the monoclinic space group P2
1
/n with a = 10.927(2) ?, b = 11.904(2) ?, c = 12.660(2) ?, β = 115.174(5)°. The bond length of the central C=C bond in o-Me2TTF is 1.401(1) ?, indicating an approximate oxidation state of +1 for the o-Me2TTF radical cation.
Graphical Abstract The X-ray crystallographic structure of the radical cation salt (o-Me2TTF)I3 has been determined and its structural properties and synthetic preparation are discussed.
相似文献
9.
Xiucun Liu Xiaoling Guo Yunyin Niu Qingli Wang Qian Cui Hongwei Hou Xiaorui Lv Seikweng Ng 《Journal of chemical crystallography》2009,39(2):147-150
Abstract In this paper, solution reaction of cadmium iodide with organic multifunctional
ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene generated a 1D polymer [CdI2 (bbmb).
(DMF) (CH3CN)]n
1, and the crystal
structure has been determined (C27H28CdI2N6O),
Mr = 818.75, a = 14.929(1) ?, b = 17.381(2) ?,
c = 15.850(1) ?, β = 114.8190(10)°, space group
C2/c, Z = 4, and V = 3733.3(6) ?3. In 1 the tetrahedral coordination of
Cd(II) and the conformation of the bbmb ligand make it a wave-shaped structure.
Graphical Abstract Synthesis and structure of a CdI2 coordination polymer with 1,4-bis(benzimidazole-1-yl-methylene)benzene(bbmb) Xiucun Liu, Xiaoling Guo, Yunyin Niu, Qingli Wang, Qian Cui, Hongwei Hou, Xiaorui Lv, SeikWeng Ng Solution reaction of cadmium iodide with organic multifunctional ligand 1,4-bis(benzimidazole-1-yl-methylene)benzene (bbmb) generated a 1D polymer [CdI2 (bbmb) (DMF)(CH3CN)]n, in which the tetrahedral coordination of Cd(II) and the conformation of bbmb ligand make it a wave-shaped structure.相似文献
10.
Jian-Jun Zhang Jochen Glaser Sergio Aarón Gamboa Abdessadek Lachgar 《Journal of chemical crystallography》2009,39(1):1-8
Abstract The preparation, structures, and characterization of two new compounds containing octahedral niobium cyanochloride clusters
as building units and (Et4N)+ as cation are reported. The reaction between Nb6Cl14 · 8H2O, KCN and (Et4N)Cl led to the formation of (Et4N)4[Nb6Cl12(CN)6] · 2.67H2O (1) which crystallizes in triclinic P-1 space group (No. 2) with a = 12.552(2), b = 12.818(2), c = 12.919(2) ?, α = 105.157(3)°, β = 104.188(3)°, γ = 117.390(2)°, V = 1611.7(5) ?3 and Z = 1. 1 has a 2D hydrogen-bonded layer structure based on [Nb6Cl12(CN)6]4−
units connected through hydrogen bonding between cyanide ligands and solvent water molecules. In the presence of large excess
of K+ ions, similar reaction leads to formation of K2(Et4N)2[Nb6Cl12(CN)6] (2) which crystallizes in the tetragonal I4/m space group (No. 87) with a = b = 10.9597(3), c = 19.178(1) ?, V = 2303.6(2) ?3 and Z = 2. Its 3D structure is based on [Nb6Cl12]2+ and [K2]2+ nodes bridged by cyanide ligands to form an expanded Prussian blue type framework with (Et4N)+ acting as charge compensating ions.
Index Abstract An expanded Prussian blue type 3D framework based on hexanuclear {Nb6} and dinuclear {K2} units which are bridged by cyanide linker was synthesized and characterized.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
11.
Dalibor Mili? Vi?nja Vrdoljak Dubravka Matkovi?-?alogovi? Marina Cindri? 《Journal of chemical crystallography》2009,39(8):553-557
Abstract Red crystals of cis-dioxo(3-methoxysalicylaldehyde 4-methylthiosemicarbazonato-N,O,S)(γ-picoline-N)molybdenum(VI), [MoO2L(γ-pic)], [L2−=CH3OC6H4(O)CH=NN=C(S)NHCH3, 3-methoxysalicylaldehyde 4-methylthiosemicarbazonato] were prepared by the reaction of [MoO2L]
n
with γ-picoline in dry methanol. The title compound crystallized in the monoclinic space group P21/n, a = 6.7984(7) ?, b = 15.9760(12) ?, c = 17.1466(14) ?, β = 93.613(8)°, V = 1858.6(3) ?3, Z = 4. The coordination geometry around the molybdenum center is distorted octahedral with the tridentate thiosemicarbazonato
ligand (L2−) bonded meridionally to the [MoO2]2+ core. The sixth coordination site is occupied by a weakly bound γ-picoline molecule. The adjacent molecules are joined by
the N–H···O hydrogen bonds between their amino and methoxy groups thus forming infinite molecular chains. The three-dimensional
solid-state structure is achieved by the additional C–H···O, C–H···π and van der Waals interactions.
Graphical Abstract In the title compound, [MoO2L(γ-pic)], the tridentate thiosemicarbazonato ligand (L2−) is meridionally bound to the [MoO2]2+ core, while a molecule of γ-picoline completes the distorted octahedral coordination around the metal atom.
相似文献
12.
M. Brad Peori Keith Vaughan Valerio Bertolasi 《Journal of chemical crystallography》2009,39(3):178-181
Abstract The crystal structure of bis-(p-Ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis. The bis-aminal (1) molecule is V-shaped and situated on a twofold axis passing through C1 with the phenyl rings forming a dihedral angle of
70.2(1)°. The carboxylate and phenyl groups are coplanar. The crystal structure of 1 is compared with the structure of the closely related aminals, 2–5. Crystal data: 1 C19H22N2O4, tetragonal, space group I4
1
cd (N.110), a = 20.4760(7) Ǻ, b = 20.4760(7) Ǻ, c = 8.2984(3) ?, and V = 3477.7(2) ?3, for Ζ = 8.
Index Abstract The crystal structure of bis-(p-ethoxycarbonylphenylamino-)methane (1) has been determined by single crystal X-ray diffraction analysis.
相似文献
13.
Abstract The 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester 6 was synthesized from p-bromoaniline. The yielded product 6 was investigated with X-ray crystallographic, NMR, MS, and IR techniques. Compound 6, C13H15BrN4O2S, Mr = 371.26, crystallizes in the monoclinic space group P21/n with unit cell parameters a = 5.5220(1), b = 26.996(5), c = 10.596(2) ?, β = 103.83(3). V = 1533.8(5) ?3, Z = 4, Dx = 1.608 mg m−3. The final R
1 was 0.0844; wR
2 was 0.1560. H-bond is discussed.
Index Abstract The structure of 5-(4-bromophenylamino)-2-methylsulfanylmethyl-2H-1,2,3-triazol-4-carboxylic acid ethyl ester from 5-amino-1-(4-bromophenyl)-1,2,3-triazol-4-carboxylic acid ethyl ester is
studied. H-bond is discussed.
相似文献
14.
Hüseyin Ünver Mustafa Yıldız Aşkın Kiraz Özen Özgen 《Journal of chemical crystallography》2009,39(1):17-23
Abstract The Schiff base (Z)-6-[(2-hydroxyphenylamino)methylene]-2-methoxycyclohexa-2,4-dienone has been synthesized from the reaction of 2-aminophenol
with 2-hydroxy-3-methoxybenzaldehyde. The title compound has been characterized by elemental analysis, FT-IR, 1H-NMR, 13C-NMR and UV–Visible techniques. The structure of the title compound also was determined crystallographically. The crystal
structure has been solved by direct methods and refined by full-matrix least squares. The title compound crystallize in the
monoclinic space group P21/c with a = 10.438(1), b = 8.851(1), c = 12.746(1) ?, β = 95.72(1)°, V = 1171.7(2) ?3, D
x
= 1.379 g cm−3, respectively (R1 = 0.0522 and wR2 = 0.126 for 1442 reflections [I > 2σ(I)]).
Index Abstract
N-salicylideneaniline derivatives have been shown to exist as tautomeric forms due to intramolecular proton shifts between
the phenol-oxygen and the imine-nitrogen, via intramolecular hydrogen bonding O–H···N or O···H–N.
相似文献
15.
M. Diallo M. Diop P. M. Haba M. Gaye A. S. Sall A. H. Barry C. Beghidja R. Welter 《Journal of chemical crystallography》2008,38(6):475-478
Abstract Single crystals of new open-framework lanthanide sulphate nitrite La(NO2)(SO4)(H2O) has been synthesized, in the presence of 2,6-diformyl-4-chlorophenol. His structure has been determined by X-ray diffraction
data: the complex crystallizes in the tetragonal system, space group P43, with a = 7.0028(2) (?), b = 7.0028(2) (?), c = 11.8341(4) ?, V = 580.34(3) ?3, Z = 4, D
c = 3.582 Mg m−3. The three-dimensional (3D) framework of this compound is built up by the linkages of lanthanide atoms and the oxygen atoms
of the sulphate
and nitrite groups. The lanthanum atom is 9-fold coordinated. The structure is unfamiliar in lanthanide chemistry and this compound represents
the first example of nitrite lanthanide sulphate complex.
Graphical Abstract An unfamiliar structure in lanthanide chemistry represented by the first example of nitrite lanthanide sulphate complex is
described.
相似文献
16.
Abstract A novel thiazole-based iridium (III) complex (iridium(III)bis(2-p-tolyl-benzothiazolato-N,C2)(acetylacetonate)) has been prepared and fully characterized by EA, IR, 1H-NMR and MS. The molecular structure of the complex has been determined by single crystal X-ray diffraction analysis. The
iridium (III) center adopts a distorted octahedral geometry with cis-O–O, cis-C–C, and trans-N–N chelate disposition. The complex crystallizes in the orthorhombic Pbca space group with cell parameters a = 10.1388(7) ?, b = 18.3565(12) ?, c = 31.021(2) ?, α = β = γ = 90 ° and Z = 8. The electronic absorption and emission spectra of this complex have been investigated.
Index Abstract A novel thiazole-based phosphorescent iridium (III) complex (iridium(III) bis (2-p-tolyl-benzothiazolato-N,C2)(acetylacetonate)) has been prepared and fully characterized by EA, IR, 1H-NMR, MS and X-ray diffraction analysis. 相似文献
17.
Abstract The synthesis, characterization, and molecular structure of the title compound, [(1-benzylpyrazole)[N,N-bis(2-aminoethyl)-1,2-ethanediamine]copper(II)] diperchlorate, [(nbp)(tren)Cu(II)](ClO4)2, 2 · 2ClO4, is reported. The salt crystallized in the monoclinic space group P21/n with a = 10.1453(5) ?, b = 17.5250(8) ?, c = 13.6021(6) ?, β = 100.737(19)° and V = 2376.06(19) ?3 with Z = 4. The structure contains copper(II) (nbp)(tren) cations, each with a distorted-trigonal-bipyramidal CuN5 coordination geometry, separated by perchlorate anions. The cations exhibit steric strain associated primarily with close
contacts between the methylene protons of the nbp ligand and one of the amine groups of the tren ligand. The strain has a
noticeable effect on the coordination geometry and certain physical properties of the complex.
Graphical Abstract In the title structure, steric strain in the (nbp)(tren)Cu(II) cations, associated with close contacts between protons of
the nbp ligand and two of the amine groups of the tren ligand (dashed lines in the figure below) affects certain physical
properties of the cation and is consistent with an anomalously long Cu(II)–N(pyrazole) distance (Cu–N41) and an unusually
large axial–equatorial angle, N41–Cu–N12.
相似文献
18.
Irena Ćaleta Dominik Cinčić Grace Karminski-Zamola Branko Kaitner 《Journal of chemical crystallography》2008,38(10):775-780
Abstract Two novel benzothiazoles 2-chloro-N-(benzothiazol-2-yl)benzamide (1) and 2-chloro-N-(6-cyanobenzothiazol-2-yl)benzamide (2) were obtained in multistep synthesis. They were characterised by means of IR, 1H- and 13C-NMR spectroscopy and also by single-crystal X-ray diffraction. The compound 1 crystallises with triclinic space group P
, a = 9.5923(8) ?, b = 9.8583(8) ?, c = 13.8962(10) ?, α = 89.162(6)°, β = 77.741(7)°, γ = 80.064(7)°, V = 1264.5(2) ?3, Z = 4 and compound 2 crystallises as methanol solvate with monoclinic space group P 21/n, a = 7.5093(9) ?, b = 13.0211(14) ?, c = 16.032(2) ?, β = 92.717(10)°, V = 1565.9(3) ?3, Z = 4. Both crystal structures consist of discrete dimers connected into a three-dimensional network by intermolecular C–H···O
and C–H···X (X = Cl or S) hydrogen bonds and by face-to-face π–π stacking interactions.
Index Abstract The synthesis and structure of two novel N-(benzothiazol-2-yl)benzamides. Irena Ćaleta, Dominik Cinčić, GraceKarminski-Zamola and Branko Kaitner. Hydrogen bonds and
π–π interactions in N-(benzothiazol-2-yl)benzamides N-(benzothiazol-2-yl)benzamides.
相似文献
19.
Benson M. Kariuki Ludovic G. Bonnet John E. Warren 《Journal of chemical crystallography》2009,39(10):693-697
Abstract Investigation of the thermal properties of triphenylphosphonium p-toluenesulfonates, which are high temperature ionic liquids, reveals that they solidify to a noncrystalline material on fast
cooling from the melt. During the study, a second crystalline form of [1-(methoxycarbonyl) ethyl] triphenylphosphonium p-toluenesulfonate (form II) has been obtained. Form II is monoclinic P21/c, with a = 11.002(5)?, b = 12.793(5)?, c = 18.805(5)?, and β = 102.498(5)°. Comparison with form I reveals the existence
of a common robust structural feature involving interactions between cations and anions.
Graphical Abstract Investigation of thermal properties of ionic liquids has revealed a second crystalline form of [1-(methoxycarbonyl) ethyl]
triphenylphosphonium p-toluenesulfonate.
相似文献
20.
Abstract The zinc(II) complex with 2-(2-hydroxyphenyl)benzimidazole, namely [Zn(2-(2-hydroxyphenyl)benzimidazolate)2]·C2H5OH (1 · C2H5OH) has been synthesized and characterized by X-ray crystallography and photoluminescent analysis. The complex crystallizes
in monoclinic space group P21/c with cell parameters a = 10.156(1) ?, b = 25.771(3) ?, c = 9.674(1) ?, α = 90°, β = 103.641(2)°, γ = 90°, Z = 4, V = 2460.4(4) ?3. The central Zn(II) is four-coordinate and has a tetrahedral geometry. The steady-state and time-resolved photoluminescent
spectra for the title compound have also been studied. The emission property can be ascribed to ligand-centered charge-transfer
transition (LCCT) with π → π* property.
Index Abstract
A new co-crystal of Zn(II) complex of 2-(2-hydroxylphenyl)benzimidazole with ethanol solvate has been prepared, characterized
by X-ray crystallography and fluorescent studies.
相似文献