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1.
The solid‐state structure of the title compound, [Cu(C19H13F2N2)(C5H9N)2], shows that the CuI centre adopts a distorted tetrahedral coordination geometry, being coordinated by two N atoms of the 6‐aminofulvene‐2‐aldimine (AFA) chelating ligand and by the bridgehead C atoms of the two isocyanide ligands. The cyclopentadienyl and imine components of the AFA ligand are approximately coplanar, with an angle between the planes of 5.00 (3)°. The Cu atom lies 0.6460 (3) Å above the imine plane defined by the N and C atoms of the seven‐membered metallocycle. There is also an uncommon C—H...Cu anagostic interaction, with an intramolecular Cu...H distance of 2.67 Å, which is less than the sum of the van der Waals radii.  相似文献   

2.
The title complex, [CuCl(C4H8OS)]n, contains infinite spiral (CuS)n chains linked by bridging Cl atoms into layers. The Cl atoms do not form polymeric fragments with CuI, but combine into isolated centrosymmetric Cu2Cl2 units. The compound is non‐isomorphous with the Br‐containing analogue, which contains Cu8S8 rings linked by Br atoms into chains. The O atom of the 1,4‐oxathiane mol­ecule does not realize its coordination abilities in the known copper(I)–halide complexes, while in copper(II)–halide complexes, oxathiane is coordinated via the S and O atoms. This falls into a pattern of the preferred inter­actions, viz. weak acid (CuI atom) with weak base (S atom) and harder acid (CuII atom) with harder base (O atom).  相似文献   

3.
Solvothermal reactions of Cu2(OH)2CO3 with 1,3‐bis(pyridin‐4‐yl)propane (bpp) in the presence of aqueous ammonia in 4‐iodotoluene/CH3CN or 1,4‐diiodobenzene/CH3CN afforded two [Cu2I2]‐based coordination polymers, namely catena‐poly[[[di‐μ‐iodido‐dicopper(I)]‐bis[μ‐1,3‐bis(pyridin‐4‐yl)propane‐κ2N:N′]] p‐toluidine tetrasolvate], {[Cu2I2(C13H14N2)2]·4C7H9N}n, (I), and the analogous 1,4‐diiodobenzene monosolvate, {[Cu2I2(C13H14N2)2]·C6H4I2}n, (II). The [Cu2I2] unit of (I) lies on a centre of symmetry at the mid‐point of the two I atoms, while that of (II) has a twofold axis running through the I...I line. In (I) and (II), each Cu centre is tetrahedrally coordinated by two μ‐I and two N atoms from two different bpp ligands. Each rhomboid [Cu2I2] unit can be considered as a four‐connecting node linked to the symmetry‐related [Cu2I2] units via two pairs of bpp ligands to form a one‐dimensional double chain along the c axis. The dimensions of the [Cu2I2(bpp)2]2 rings in (I) and (II) are different, which may be due to the presence of different guest solvent molecules in the structures. In (I), one p‐toluidine molecule, derived from an Ullmann coupling reaction of 4‐iodotoluene with ammonia, interacts with the [Cu2I2] cluster fragment through N—H...I hydrogen bonds, while the two p‐toluidine molecules interact via N—H...N hydrogen bonds. In (II), two I atoms of each 1,4‐diiodobenzene molecule are linked to the I atoms of the [Cu2I2] fragments from a neighbouring chain via I...I secondary interactions.  相似文献   

4.
Coordination polymers (CPs) built by coordination bonds between metal ions/clusters and multidentate organic ligands exhibit fascinating structural topologies and potential applications as functional solid materials. The title coordination polymer, poly[diaquabis(μ4‐biphenyl‐3,4′,5‐tricarboxylato‐κ4O3:O3′:O4′:O5)tris[μ2‐1,4‐bis(1H‐imidazol‐1‐yl)benzene‐κ2N3:N3′]dicopper(II)dicopper(I)], [CuII2CuI2(C15H7O6)2(C12H10N4)3(H2O)2]n, was crystallized from a mixture of biphenyl‐3,4′,5‐tricarboxylic acid (H3bpt), 1,4‐bis(1H‐imidazol‐1‐yl)benzene (1,4‐bib) and copper(II) chloride in a water–CH3CN mixture under solvothermal reaction conditions. The asymmetric unit consists of two crystallographically independent Cu atoms, one of which is CuII, while the other has been reduced to the CuI ion. The CuII centre is pentacoordinated by three O atoms from three bpt3− ligands, one N atom from a 1,4‐bib ligand and one O atom from a coordinated water molecule, and the coordination geometry can be described as distorted trigonal bipyramidal. The CuI atom exhibits a T‐shaped geometry (CuN2O) coordinated by one O atom from a bpt3− ligand and two N atoms from two 1,4‐bib ligands. The CuII atoms are extended by bpt3− and 1,4‐bib linkers to generate a two‐dimensional network, while the CuI atoms are linked by 1,4‐bib ligands, forming one‐dimensional chains along the [20] direction. In addition, the completely deprotonated μ4‐η1111 bpt3− ligands bridge one CuI and three CuII cations along the a (or [100]) direction to form a three‐dimensional framework with a (103)2(10)2(42.6.102.12)2(42.6.82.10)2(8) topology via a 2,2,3,4,4‐connected net. An investigation of the magnetic properties indicated a very weak ferromagnetic behaviour.  相似文献   

5.
In the title compound, [Cu(C6F5COO)2(C4H4N2)]n, (I), the asymmetric unit contains one CuII cation, two anionic pentafluorobenzoate ligands and one pyrazine ligand. Each CuII centre is five‐coordinated by three O atoms from three independent pentafluorobenzoate anions, as well as by two N atoms from two pyrazine ligands, giving rise to an approximately square‐pyramidal coordination geometry. Adjacent CuII cations are bridged by a pyrazine ligand and two pentafluorobenzoate anions to give a two‐dimensional layer. The layers are stacked to generate a three‐dimensional supramolecular architecture via strong intermolecular C—H...F—C interactions, as indicated by the F...H distance of 2.38 Å.  相似文献   

6.
In the crystal structure of the title compound, C8H18N22+·2I·CH3CN, the dication lies on a mirror plane containing the mol­ecular dication threefold axis. The structure displays C—H⋯I inter­actions between H atoms of the 1,4‐dimethyl‐1,4‐diazo­nia­bicyclo­[2.2.2]octane dication and the iodide anions. The H⋯I distances are in the range 2.96–3.18 (4) Å. The dications pack forming channels along the b axis, which contain the iodide anions and acetonitrile solvent mol­ecules.  相似文献   

7.
The bitopic ligand 1,2‐bis(1,2,4‐triazol‐4‐yl)ethane (tr2eth) provides an unprecedented short‐distance N1:N2‐triazole bridging of CuI and VIV ions in poly[bis[μ4‐1,2‐bis(1,2,4‐triazol‐4‐yl)ethane]di‐μ2‐fluorido‐tetrafluoridodi‐μ2‐oxido‐dicopper(I)divanadium(IV)], [Cu2V2F6O2(C6H8N6)2]n. The CuI ions and tr2eth linkers afford a two‐dimensional square‐grid topology involving centrosymmetric (tr)Cu(μ‐tr)2Cu(tr) [tr is triazole; Cu—N = 1.9525 (16)–2.0768 (18) Å] binuclear net nodes, which are expanded in a third dimension by centrosymmetric [V2O2F6]2− pillars. The concerted μ‐tr and μ‐O bridging between the CuI and VIV ions allows a multi‐centre accommodation of the vanadium oxyfluoride moiety on a cationic Cu/tr2eth matrix [Cu—O = 2.1979 (15) Å and V—N = 2.1929 (17) Å]. The distorted octahedral coordination of [VONF4] is completed by two terminal and two bridging F ions [V—F = 1.8874 (14)–1.8928 (13) and 2.0017 (13)–2.1192 (12) Å, respectively]. The resulting three‐dimensional framework has a primitive cubic net topology and adopts a threefold interpenetration.  相似文献   

8.
The title complex, [Ag2(C7H5O2)2(C18H18F2N2)]n, is a dinuclear silver(I) compound with one inversion centre between pairs of Ag atoms and another at the mid‐point of the central C—C bond in the butane‐1,4‐diamine moiety. Each of the smallest repeat units consists of two silver(I) cations, two benzoate anions and one N,N′‐bis(2‐fluorobenzyl­idene)­butane‐1,4‐di­amine Schiff base ligand. Each AgI ion is three‐coordinated in a trigonal configuration by two O atoms from two benzoate anions and one N atom from a Schiff base ligand. The di‐μ‐benzoato‐disilver(I) moieties are linked by the bridging Schiff base ligand, giving zigzag polymeric chains with an [–Ag⋯Ag—N—C—C—C—C—N–]n backbone running along the b axis.  相似文献   

9.
To enable a comparison between a C—H…X hydrogen bond and a halogen bond, the structures of two fluorous‐substituted pyridinium iodide salts have been determined. 4‐[(2,2‐Difluoroethoxy)methyl]pyridinium iodide, C8H10F2NO+·I, (1), has a –CH2OCH2CF2H substituent at the para position of the pyridinium ring and 4‐[(3‐chloro‐2,2,3,3‐tetrafluoropropoxy)methyl]pyridinium iodide, C9H9ClF4NO+·I, (2), has a –CH2OCH2CF2CF2Cl substituent at the para position of the pyridinium ring. In salt (1), the iodide anion is involved in one N—H…I and three C—H…I hydrogen bonds, which, together with C—H…F hydrogen bonds, link the cations and anions into a three‐dimensional network. For salt (2), the iodide anion is involved in one N—H…I hydrogen bond, two C—H…I hydrogen bonds and one C—Cl…I halogen bond; additional C—H…F and C—F…F interactions link the cations and anions into a three‐dimensional arrangement.  相似文献   

10.
The asymmetric unit of the title two‐dimensional coordination polymer, [Co2(C16H6O8)(C14H14N4)2]n, contains one Co2+ ion, half of a biphenyl‐3,3′,4,4′‐tetracarboxylate (bptc) anion lying about an inversion centre and one 1,4‐bis(imidazol‐1‐ylmethyl)benzene (bix) ligand. The CoII atom is coordinated by three carboxylate O atoms from two different bptc ligands and two N atoms from two bix ligands constructing a distorted square pyramid. Each Co2+ ion is interlinked by two bptc anions, while each bptc anion coordinates to four Co atoms as a hexadentate ligand so that four CoII atoms and four bptc anions afford a larger 38‐membered ring. These inorganic rings are further extended into a two‐dimensional undulated network in the (10) plane. Two CoII atoms in adjacent 38‐membered rings are joined together by pairs of bix ligands forming a 26‐membered [Co2(bix)2] ring that is penetrated by a bptc anion; these components share a common inversion centre.  相似文献   

11.
The asymmetric unit of the title compound, [Cd(C8H4O4)(C17H8ClN5)(H2O)]n, contains one CdII atom, two half benzene‐1,4‐dicarboxylate (1,4‐bdc) anions, one 11‐chloropyrido[2′,3′:2,3]pyrimidino[5,6‐f][1,10]phenanthroline (L) ligand and one coordination water molecule. The 1,4‐bdc ligands are on inversion centers at the centroids of the arene rings. The CdII atom is six‐coordinated by two N atoms from one L ligand, three carboxylate O atoms from two different 1,4‐bdc ligands and one water O atom in a distorted octahedral coordination sphere. Each CdII center is bridged by the 1,4‐bdc dianions to give a one‐dimensional chain. π–π stacking interactions between L ligands of neighboring chains extend adjacent chains into a two‐dimensional supramolecular (6,3) network. Neighboring (6,3) networks are interpenetrated in an unusual inclined mode, resulting in a three‐dimensional framework. Additionally, the water–carboxylate O—H...O hydrogen bonds observed in the network consolidate the interpenetrating nets.  相似文献   

12.
In the title three‐dimensional tetrazolate‐based coordination polymer, poly[bis(μ3‐cyanido‐κ3N:C:C)[μ5‐5‐(pyridin‐4‐yl)tetrazolato‐κ5N:N′:N′′:N′′′:N′′′′]tricopper(I)], [Cu3(C6H4N5)(CN)2]n, there are two types of coordinated CuI atoms. One type exhibits a tetrahedral environment and the other, residing on a twofold axis, adopts a trigonal coordination environment. The closest Cu...Cu distance is only 2.531 (2) Å, involving a bridging cyanide C atom. All four tetrazolate and the pyridine N atom of the 4‐(pyridin‐4‐yl)‐1H‐tetrazolate anion are coordinated to these CuI atoms and exhibit a μ5‐bridging mode. The three‐dimensional coordination network can be topologically simplified as a rarely observed (3,3,4,5)‐connected network with the Schläfli symbol (4.6.84)2.(42.6.87).(6.82)3.  相似文献   

13.
2‐Ammonio‐5‐chloro‐4‐methylbenzenesulfonate, C7H8ClNO3S, (Ia), is an intermediate in the synthesis of lake red azo pigments. The present structure determination from single‐crystal data confirms the results of a previous powder diffraction determination [Bekö, Thoms, Brüning, Alig, van de Streek, Lakatos, Glaubitz & Schmidt (2010). Z. Kristallogr. 225 , 382–387]. The zwitterionic tautomeric form is confirmed. During a polymorph screening, two additional pseudopolymorphs were obtained, viz. 2‐ammonio‐5‐chloro‐4‐methylbenzenesulfonate 1‐methyl‐2‐pyrrolidone monosolvate, C7H8ClNO3S·C5H9NO, (Ib), and 2‐ammonio‐5‐chloro‐4‐methylbenzenesulfonate dimethyl sulfoxide monosolvate, C7H8ClNO3S·C2H6OS, (Ic). The molecules of (Ib) have crystallographic m symmetry. The 1‐methyl‐2‐pyrrolidone solvent molecule has an envelope conformation and is disordered around the mirror plane. The structure shows hydrogen‐bonded ladders of molecules [graph‐set notation C22(6)R22(12)] in the [010] direction. The benzene groups of adjacent ladders are also stacked in this direction. A different type of hydrogen‐bonded ladder [graph‐set notation C(6)R22(4)R44(12)] occurs in (Ic). In (Ia), (Ib) and (Ic), the molecules correspond to the zwitterionic tautomer. The structure of the cocrystal of 4‐aminobenzenesulfonic acid with 1,4‐bis(4,5‐dihydroimidazol‐2‐yl)benzene [Shang, Ren, Wang, Lu & Yang (2009). Acta Cryst. E 65 , o2221–o2222] is corrected; it actually contains 4‐aminobenzenesulfonate anions and 2,2′‐(1,4‐phenylene)di(dihydroimidazolium) dications, i.e. 2,2′‐(1,4‐phenylene)di(4,5‐dihydroimidazolium) bis(4‐aminobenzenesulfonate) dihydrate, C12H16N42+·2C6H6NO3S·2H2O. Hence, all known structures of aminobenzenesulfonic acid complexes contain ionic or zwitterionic molecules; there is no known structure with a neutral aminobenzenesulfonic acid molecule.  相似文献   

14.
The title compound, C48H20F19N4O3P, prepared by the nucleophilic attack of triethyl phosphite on one of the 4‐fluoro atoms of 5,10,15,20‐tetrakis(pentafluorophenyl)porphyrin, contains a single molecule in the asymmetric unit. The porphyrin unit is almost planar [largest non‐H atom deviation = 0.174 (6) Å], and has the planes of the neighbouring benzene rings oriented at angles ranging from 64.3 (2) to 89.6 (3)° relative to the porphyrin core. The P=O group is almost coplanar with the attached benzene ring, subtending an angle of 4.0 (3)°. Several weak supramolecular interactions, namely C—H...π, C—F...π, P=O...π, C—H...(O,F) and F...F contacts, contribute to the crystal packing.  相似文献   

15.
In the polymeric title compound, [CuI(C10H8N4)]n, the CuI atom is in a four‐coordinated tetrahedral geometry, formed by two I atoms and two pyridine N atoms from two different 4,4′‐(diazenediyl)dipyridine (4,4′‐azpy) ligands. Two μ2‐I atoms link two CuI atoms to form a planar rhomboid [Cu2I2] cluster located on an inversion centre, where the distance between two CuI atoms is 2.7781 (15) Å and the Cu—I bond lengths are 2.6290 (13) and 2.7495 (15) Å. The bridging 4,4′‐azpy ligands connect the [Cu2I2] clusters into a two‐dimensional (2‐D) double‐layered grid‐like network [parallel to the (10) plane], with a (4,4)‐connected topology. Two 2‐D grid‐like networks interweave each other by long 4,4′‐azpy bridging ligands to form a dense 2‐D double‐layered network. To the best of our knowledge, this interwoven 2‐D→2‐D network is observed for the first time in [Cu2I2]–organic compounds.  相似文献   

16.
The title compounds, C8H11NO, (I), and 2C8H12NO+·C4H4O42−, (II), both crystallize in the monoclinic space group P21/c. In the crystal structure of (I), intermolecular O—H...N hydrogen bonds combine the molecules into polymeric chains extending along the c axis. The chains are linked by C—H...π interactions between the methylene H atoms and the pyridine rings into polymeric layers parallel to the ac plane. In the crystal structure of (II), the succinate anion lies on an inversion centre. Its carboxylate groups interact with the 2‐ethyl‐3‐hydroxy‐6‐methylpyridinium cations via intermolecular N—H...O hydrogen bonds with the pyridine ring H atoms and O—H...O hydrogen bonds with the hydroxy H atoms to form polymeric chains, which extend along the [01] direction and comprise R44(18) hydrogen‐bonded ring motifs. These chains are linked to form a three‐dimensional network through nonclassical C—H...O hydrogen bonds between the pyridine ring H atoms and the hydroxy‐group O atoms of neighbouring cations. π–π interactions between the pyridine rings and C—H...π interactions between the methylene H atoms of the succinate anion and the pyridine rings are also present in this network.  相似文献   

17.
The crystal structures of the title compounds, viz. C24H14F2N2O2, (I), and C25H17FN2O2, (II), respectively, have been determined in order to unravel the role of an ordered F atom in generating stable supra­molecular assemblies. On changing the substitution from fluorine to a methyl group, C—H⋯F inter­actions are replaced by C—H⋯π inter­actions, revealing the importance of such weak inter­actions when present alongside N—H⋯O and C—H⋯O hydrogen bonds. The dihedral angle between the planes of the 4‐fluoro­phenyl ring and the pyridine ring is 26.8 (1)° in (I), while that between the planes of the 4‐methyl­phenyl and pyridine rings is 29.5 (1)° in (II).  相似文献   

18.
The title complex, [Ag4(C7H5O3)2(C8H6N2)4(C7H6O3)4], lies about an inversion centre and has a unique tetra­nuclear structure consisting of four AgI atoms bridged by four N atoms from two 1,8‐naphthyridine (napy) ligands to form an N:N′‐bridge and four O atoms from two salicylate (SA) ligands to form an O:O′‐bridge. The Ag atoms have distorted octa­hedral coordination geometry. The centrosymmetric Ag4 ring has Ag—Ag separations of 2.772 (2) and 3.127 (2) Å, and Ag—Ag—Ag angles of 107.70 (4) and 72.30 (4)°. All SA hydroxy groups take part in intra­molecular O—H⋯O hydrogen bonding. In the crystal packing, the napy rings are oriented parallel and overlap one another. These π–π inter­actions, together with weak inter­molecular C—H⋯O contacts, stabilize the crystal structure.  相似文献   

19.
The dinuclear AuI complex containing the 4,5‐bis(diphenylphosphino)‐9,9‐dimethylxanthene (xantphos) ligand and trifluoroacetate anions exists in a solvent‐free form, [μ‐4,5‐bis(diphenylphosphino)‐9,9‐dimethylxanthene]bis[(trifluoroacetato)gold(I)], [Au2(C2F3O2)2(C39H32OP2)], (I), and as a dichloromethane solvate, [Au2(C2F3O2)2(C39H32OP2)]·0.58CH2Cl2, (II). The trifluoroacetate anions are coordinated to the AuI centres bridged by the xantphos ligand in both compounds. The AuI atoms are in distorted linear coordination environments in both compounds. The phosphine substituents are in a syn arrangement in the xantphos ligand, which facilitates the formation of short aurophilic Au...Au interactions of 2.8966 (8) Å in (I) and 2.9439 (6) Å in (II).  相似文献   

20.
The new asymmetrical organic ligand 2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole ( L , C17H13N5O), containing pyridine and imidazole terminal groups, as well as potential oxdiazole coordination sites, was designed and synthesized. The coordination chemistry of L with soft AgI, CuI and CdII metal ions was investigated and three new coordination polymers (CPs), namely, catena‐poly[[silver(I)‐μ‐2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole] hexafluoridophosphate], {[Ag( L )]PF6}n, catena‐poly[[copper(I)‐di‐μ‐iodido‐copper(I)‐bis(μ‐2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole)] 1,4‐dioxane monosolvate], {[Cu2I2( L )2]·C4H8O2}n, and catena‐poly[[[dinitratocopper(II)]‐bis(μ‐2‐{4‐[(1H‐imidazol‐1‐yl)methyl]phenyl}‐5‐(pyridin‐4‐yl)‐1,3,4‐oxadiazole)]–methanol–water (1/1/0.65)], {[Cd( L )2(NO3)2]·2CH4O·0.65H2O}n, were obtained. The experimental results show that ligand L coordinates easily with linear AgI, tetrahedral CuI and octahedral CdII metal atoms to form one‐dimensional polymeric structures. The intermediate oxadiazole ring does not participate in the coordination interactions with the metal ions. In all three CPs, weak π–π interactions between the nearly coplanar pyridine, oxadiazole and benzene rings play an important role in the packing of the polymeric chains.  相似文献   

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