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1.
Anna Doga Katarzyna Baranowska Agnieszka Pladzyk Katarzyna Majcher 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(7):m259-m263
The complexes [2‐(1H‐imidazol‐4‐yl‐κN3)ethylamine‐κN]bis(tri‐tert‐butoxysilanethiolato‐κS)cobalt(II), [Co(C12H27O3SSi)2(C5H9N3)], and [2‐(1H‐imidazol‐4‐yl‐κN3)ethylamine‐κN]bis(tri‐tert‐butoxysilanethiolato‐κS)zinc(II), [Zn(C12H27O3SSi)2(C5H9N3)], are isomorphous. The central ZnII/CoII ions are surrounded by two S atoms from the tri‐tert‐butoxysilanethiolate ligand and by two N atoms from the chelating histamine ligand in a distorted tetrahedral geometry, with two intramolecular N—H...O hydrogen‐bonding interactions between the histamine NH2 groups and tert‐butoxy O atoms. Molecules of the complexes are joined into dimers via two intermolecular bifurcated N—H...(S,O) hydrogen bonds. The ZnII atom in [(1H‐imidazol‐4‐yl‐κN3)methanol]bis(tri‐tert‐butoxysilanethiolato‐κ2O,S)zinc(II), [Zn(C12H27O3SSi)2(C4H6N2O)], is five‐coordinated by two O and two S atoms from the O,S‐chelating silanethiolate ligand and by one N atom from (1H‐imidazol‐4‐yl)methanol; the hydroxy group forms an intramolecular hydrogen bond with sulfur. Molecules of this complex pack as zigzag chains linked by N—H...O hydrogen bonds. These structures provide reference details for cysteine‐ and histidine‐ligated metal centers in proteins. 相似文献
2.
M. Enriqueta Díaz de Vivar Sergio Baggio Juan Carlos Muoz Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m30-m33
Two different zinc sulfite compounds have been prepared through the decomposition of pyrosulfite–dithionite ions in aqueous solution, viz. a dimeric complex, di‐μ‐sulfito‐κ3O,O′:O′′;κ3O:O′,O′′‐bis[(4,4′‐dimethyl‐2,2′‐bipyridine‐κ2N,N′)zinc(II)] dihydrate, [Zn2(SO3)2(C12H12N2)2]·2H2O, (I), which was solved and refined from a twinned sample, and an extended polymer, poly[[aqua(1,10‐phenanthroline‐κ2N,N′)zinc(II)]‐μ3‐sulfito‐κ2O:O′:O′′‐zinc(II)‐μ3‐sulfito‐κ3O:O:O′], [Zn2(SO3)2(C12H10N2)(H2O)]n, (II). In (I), the dinuclear ZnII complex has a center of symmetry. The cation is five‐coordinate in a square‐pyramidal arrangement, the anion fulfilling a bridging chelating role. Compound (II) comprises two different zinc units, one being five‐coordinate (square pyramidal) and the other four‐coordinate (trigonal pyramidal), and two independent sulfite groups with different binding modes to the cationic centers. 相似文献
3.
Claude Villiers Pierre Thury Michel Ephritikhine 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m243-m245
In the title compound, (1,4,7,10,13,16‐hexaoxacyclooctadecane‐1κ6O)‐μ‐oxo‐1:2κ2O:O‐hexakis(tetrahydroborato)‐1κ3H;2κ2H;2κ2H;2κ3H;2κ3H;2κ3H‐diuranium(IV), [U2(BH4)6O(C12H24O6)], one of the U atoms (U1), located at the centre of the crown ether moiety, is bound to the six ether O atoms, and also to a tridentate tetrahydroborate group and a μ‐oxo atom in axial positions. The other U atom (U2) is bound to the same oxo group and to five tetrahydroborate moieties, three of them tridentate and the other two bidentate. The two metal centres are bridged by the μ‐oxo atom in an asymmetric fashion, thus giving the species (18‐crown‐6)(κ3‐BH4)U=(μ‐O)—U(κ3‐BH4)3(κ2‐BH4)2, in which the U1=O and U2—O bond lengths to the μ‐O atom [1.979 (5) and 2.187 (5) Å, respectively] are indicative of the presence of positive and negative partial charges on U1 and U2, respectively. 相似文献
4.
Eleonora Freire Sergio Baggio Juan Carlos Muoz Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):m455-m458
The structure of bis(1,10‐phenanthroline‐κ2N,N′)(thiosulfato‐κ2O:S)manganese(II) methanol solvate, [Mn(S2O3)(C12H8N2)2]·CH3OH, is made up of Mn2+ centers coordinated to two bidentate phenanthroline (phen) groups and an S,O‐chelating thiosulfate anion, forming monomeric entities. The structure of catena‐poly[[diaqua(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)manganese(II)]‐μ‐thiosulfato‐κ2O:S], [Mn(S2O3)(C14H12N2)(H2O)2]n, is polymeric, consisting of Mn(dmph)(H2O)2 units (dmph is 2,9‐dimethyl‐1,10‐phenanthroline) linked by thiosulfate anions acting in an S,O‐chelating manner. 相似文献
5.
Yang Kim Brian W. Skelton Allan H. White 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m546-m548
In title anhydrous catena‐poly[[trans‐bis(ethane‐1,2‐diamine‐κ2N,N′)copper(II)]‐μ‐dithionato‐κ2O:O′], [Cu(S2O6)(C2H8N2)2]n or [{H2N(CH2)2NH2}2Cu(O·O2SSO2·O)]∞, successive Cu atoms are bridged by a single doubly charged dithionate group, forming a one‐dimensional polymer with inversion centres at the metal atoms and the mid‐point of the S—S bond [Cu—O = 2.5744 (15) Å]. In title (hydrated) trans‐diaquabis(propane‐1,3‐diamine‐κ2N,N′)copper(II) dithionate, [Cu(C3H10N2)2(H2O)2](S2O6) or [{H2N(CH2)3NH2}2Cu(OH2)2](S2O6), both ions have imposed 2/m symmetry. The `axial' anion components are displaced by a pair of water ligands [Cu—O = 2.439 (3) Å], the shorter Cu—O distance being compensated by the lengthened Cu—N distance [2.0443 (18), cf. 2.0100 (13) and 2.0122 (16) Å]. 相似文献
6.
Neil M. Boag Kathleen M. Coward Anthony C. Jones Martyn E. Pemble J. Robin Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1438-1439
The hydrolysis product [Ga2(C3H7)4(OH)2]·C14H32N4, derived from the tetrakis(triisopropylgallium)–1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclotetradecane (1/1) adduct, consists of a centrosymmetric [iPr2Ga(μ‐OH)]2 unit hydrogen bonded through the hydroxyl group to a nitrogen on an adjacent centrosymmetric 1,4,8,11‐tetramethyl‐1,4,8,11‐tetraazacyclotetradecane molecule, resulting in the generation of a molecular chain through the crystal. 相似文献
7.
(Borohydrido)(18‐crown‐6)potassium and (borohydrido)(dibenzo‐18‐crown‐6)(tetrahydrofuran)potassium
Claude Villiers Michel Ephritikhine Pierre Thury 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m275-m277
In the two compounds (borohydrido)(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)potassium, [K(BH4)(C12H24O6)], (I), and (borohydrido)(1,4,7,10,13,16‐hexaoxa‐2,3:11,12‐dibenzocyclooctadeca‐2,11‐diene‐κ6O)(tetrahydrofuran)potassium, [K(BH4)(C4H8O)(C20H24O6)], (II), the K atom is bound to the six O atoms of the crown ether and to a tridentate borohydride group, with further coordination to a tetrahydrofuran molecule in (II). The alkali metal ion environment is thus distorted hexagonal–pyramidal in (I) and bipyramidal in (II). 相似文献
8.
Tadeusz Lis Petra Stachov Duan Valigura Jan Moncol 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m375-m377
The title compound {systematic name: tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)bis[(3,7‐dihydro‐1,3,7‐trimethyl‐1H‐purine‐2,6‐dione‐κO2)copper(II)]}, [Cu2(C7H3N2O6)4(C8H10N4O2)2], consists of paddle‐wheel dimeric tetrakis(μ‐3,5‐dinitrobenzoato‐κ2O:O′)dicopper(II) units with O‐coordinated caffeine molecules in both apical positions. The entire dimeric molecule lies on a tetragonal inversion axis, and thus one nitrobenzoate anion with one Cu atom in a special position belong to the independent part of the molecule. The caffeine ligand bonded to the Cu atom is disordered on a local twofold non‐crystallographic axis coincident with the axis. A π–π stacking interaction is observed between the caffeine rings and adjacent symmetry‐related benzene rings of the 3,5‐dinitrobenzoate anions. 相似文献
9.
Ying‐Quan Zou Xia Li Yan Li Huai‐Ming Hu 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1048-1050
The title compound, tetrakis(μ‐2,3‐dimethoxybenzoato)‐κ4O:O′;κ6O,O′:O′‐bis[(2,2′‐bipyridine‐N,N′)(2,3‐dimethoxybenzoato‐O,O′)lanthanum(III)], [La2(2,3‐DMOBA)6(2,2′‐bpy)2], where 2,3‐DMOBA is 2,3‐dimethoxybenzoate (C9H9O4) and 2,2′‐bpy is 2,2′‐bipyridine (C10H8N2), is a dimer with a centre of inversion between the La atoms bridged by four carboxylate ligands. The central La atom is ennea‐coordinated and has a distorted monocapped square‐antiprism geometry. 相似文献
10.
Daniel B. Werz Frank Ohlbach Frank Rominger Rolf Gleiter 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o1-o3
The title compounds are electron‐poor ethynes. The structure determination of bis(tert‐butylsulfonyl)ethyne, C10H18O4S2, (I), is the first of a bis‐sulfonyl‐substituted ethyne. The molecule is situated on a crystallographic inversion centre. The S—Csp bond [1.737 (2) Å] is the longest of this type reported to date. 1‐tert‐Butylsulfinyl‐2‐tert‐butylsulfonylethyne, C10H18O3S2, (II), which is basically the same as (I) minus one O atom, crystallizes isomorphous with (I). This results in a nearly equal distribution of the three O atoms over the four possible positions. 相似文献
11.
E. Yang Jian Zhang Yi‐Hang Wen Yu‐Biao Chen Yao Kang Zhao‐Ji Li Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m280-m282
The hydrothermal reaction of an aqueous solution of Cu(CH3COO)2·H2O, 1,2,4,5‐benzenetetracarboxylic acid and 4,4′‐bipyridine gave rise to the interesting title three‐dimensional polymer {[Cu6(btec)3(4,4′‐bpy)3(H2O)2]·2H2O}n (btec is 1,2,4,5‐benzenetetracarboxylate, C10H2O84−, and 4,4′‐bpy is 4,4′‐bipyridine, C10H8N2), in which each btec ligand links six copper(II) cations into a lamellar [Cu6(btec)3(H2O)2]n subpolymer framework. There are two distinct diamine units and two distinct carboxylate units, with one of each lying across an inversion centre. 相似文献
12.
In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐nicotinato‐κ2N:O], [Ag(C6H4NO2)(C10H9N3)]n, the AgI atom is tetracoordinated by two N atoms from the di‐2‐pyridylamine (BPA) ligand [Ag—N = 2.3785 (18) and 2.3298 (18) Å] and by one N atom and one carboxylate O atom from nicotinate ligands [Ag—N = 2.2827 (15) Å and Ag—O = 2.3636 (14) Å]. Bridging by nicotinate N and O atoms generates a polymeric chain structure, which extends along [100]. The carboxyl O atom not bonded to the Ag atom takes part in an intrachain C—H⋯O hydrogen bond, further stabilizing the chain. Pairs of chains are linked by N—H⋯O hydrogen bonds to generate ribbons. There are no π–π interactions in this complex. In catena‐poly[[(di‐2‐pyridylamine‐κ2N,N′)silver(I)]‐μ‐2,6‐dihydroxybenzoato‐κ2O1:O2], [Ag(C7H5O4)(C10H9N3)]n, the AgI atom has a distorted tetrahedral coordination, with three strong bonds to two pyridine N atoms from the BPA ligand [Ag—N = 2.286 (5) and 2.320 (5) Å] and to one carboxylate O atom from the 2,6‐dihydroxybenzoate ligand [Ag—O = 2.222 (4) Å]; the fourth, weaker, Ag‐atom coordination is to one of the phenol O atoms [Ag⋯O = 2.703 (4) Å] of an adjacent moiety, and this interaction generates a polymeric chain along [100]. Pairs of chains are linked about inversion centers by N—H⋯O hydrogen bonds to form ribbons, within which there are π–π interactions. The ribbons are linked about inversion centers by pairs of C—H⋯O hydrogen bonds and additional π–π interactions between inversion‐related pairs of 2,6‐dihydroxybenzoate ligands to generate a three‐dimensional network. 相似文献
13.
Miguel Angel Harvey Sergio Baggio Andrs Ibaez Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(8):m382-m385
Two differently hydrated crystal forms of the title compound, viz. bis(acetato‐κ2O,O′)(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)mercury(II), [Hg(C2H3O2)2(C14H12N2)] or [HgAc2(dmph)] [dmph is 2,3‐dimethyl‐1,10‐phenantroline (neocuproine) and Ac is acetate], (I), and tris[bis(acetato‐κ2O,O′)(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)mercury(II)] hexadecahydrate, [Hg(C2H3O2)2(C14H12N2)]3·16H2O or [HgAc2(dmph)]3·16H2O, (II), are presented. Both structures are composed of very simple monomeric units, which act as the building blocks of complex packing schemes stabilized by a diversity of π–π and hydrogen‐bonding interactions. 相似文献
14.
Shiming Li Knut Lundquist Vratislav Langer 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o625-o627
Compounds (2R*,3S*)‐1‐(3,4‐dimethoxyphenyl)‐3‐{3‐methoxy‐2‐[(2R*)‐tetrahydropyran‐2‐yloxy]phenyl}‐2,3‐epoxy‐1‐propanone, C23H26O7, (I), and trans‐1‐(3,4‐dimethoxyphenyl)‐3‐[3‐methoxy‐2‐(methoxymethoxy)phenyl]‐2,3‐epoxy‐1‐propanone, C20H22O7, (II), were obtained on epoxidation of chalcones. The stereochemistries of (I) and (II) were elucidated. In both compounds, the substituents on the oxirane ring are trans‐oriented. Compound (I) was obtained together with a diastereometric form that differs from (I) with respect to the configuration of the asymmetric C atom in the tetrahydropyran group. The geometries of the substituted oxirane rings of (I) and (II) are very similar. The hydrogen‐bonding patterns, mediated via weak C—H⋯O interactions, differ considerably. The crystal structures of (I) and (II) are compared with those of related chalcone epoxides. The conversion of (I) and (II) into lignin‐related phenylcoumarans is discussed. 相似文献
15.
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
16.
Ana María Atria Ricardo Baggio María Teresa Garland Piedad Corts 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m311-m314
The three title compounds, namely 4‐phenyl‐1H‐imidazolium hexa‐μ2‐chloro‐chloro‐μ4‐oxo‐tris(4‐phenyl‐1H‐imidazole‐κN1)tetracopper(II) monohydrate, (C9H9N2)[Cu4Cl7O(C9H8N2)3]·H2O, hexa‐μ2‐chloro‐μ4‐oxo‐tetrakis(pyridine N‐oxide‐κO)tetracopper(II), [Cu4Cl6O(C5H5NO)4], and hexa‐μ2‐chloro‐tetrakis(2‐methyl‐1H‐imidazole‐κN1)‐μ4‐oxo‐tetracopper(II) methanol trisolvate, [Cu4Cl6O(C4H6N2)4]·3CH4O, exhibit the same Cu4OCl6 framework, where the O atom at the centre of an almost regular tetrahedron bridges four copper cations at the corners. This group is in turn surrounded by a Cl6 octahedron, leading to a rather globular species. This special arrangement of the CuII cations results in a diversity of magnetic behaviours. 相似文献
17.
Lionel Salmon Pierre Thury Michel Ephritikhine 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m246-m248
The title complex, bis(acetylacetonato‐κ2O,O′)[N,N′‐bis(3‐hydroxy‐2‐oxidobenzaldimino)‐2‐methyl‐1,2‐propanediamine‐κ4N,O,O′,N′]uranium(IV) tetrahydrofuran solvate, [U(C18H18N2O4)(C5H7O2)2]·C4H8O, is a rare example of a uranium(IV) complex with a compartmental Schiff base. The U atom is located in the N2O2 inner site of the hexadentate N,N′‐bis(3‐hydroxy‐2‐oxidobenzaldimino)‐2‐methyl‐1,2‐propanediamine group and is bound also to the two O atoms of both acetylacetonate moieties, which results in a dodecahedral coordination environment. Centrosymmetric dimers are formed through intermolecular hydrogen bonds that link the terminal uncoordinated hydroxy groups to one another and to the O atoms of the acetylacetonate ligands. 相似文献
18.
Sevim Hamamci Veysel T. Yilmaz Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):m1-m3
Crystallization of the title compound, di‐μ‐pyridazine‐1κ2N:2κ2N′‐bis[(2,3‐dihydro‐3‐oxobenzisosulfonazolato‐κN)silver(I)], [Ag2(C7H4NO3S)2(C4H4N2)2], from acetonitrile yields both monoclinic, (I), and triclinic, (II), polymorphs. In both forms, the silver(I) ions have a slightly distorted trigonal AgN3 coordination geometry and are doubly bridged by two neutral pyridazine (pydz) ligands, generating a centrosymmetric dimeric structure. The saccharinate (sac) ligands are N‐coordinated. The dihedral angles between the sac and pydz rings are 8.43 (7) and 7.94 (8)° in (I) and (II), respectively, suggesting that the dimeric molecule is nearly flat. The bond geometry is similar in both polymorphs. In (I), the dimers interact with each other via aromatic πsac–πpydz stacking interactions, forming two‐dimensional layers, which are further crosslinked by weak C—H⋯O interactions. Compound (II) exhibits similar C—H⋯O and π–π interactions, but additional C—H⋯π and π⋯Ag interactions help to stabilize the packing of the dimers. 相似文献
19.
The heteroleptic neutral tri‐tert‐butoxysilanethiolate of cobalt(II) incorporating ammonia as additional ligand ( 1 ) has been prepared by the reaction of a cobalt(II) ammine complex with tri‐tert‐butoxysilanethiol in water. Complex 1 , dissolved in hexane, undergoes oxidation in an ammonia saturated atmosphere to the ionic cobalt(III) compound 2 . Molecular and crystal structures of 1 and 2 have been determined by single crystal X‐ray structural analysis. 1 forms a dimeric molecule [Co{μ‐SSi(OBut)3}{SSi(OBut)3}(NH3)]2 with a folded central Co2S2 ring and distorted tetrahedral ligand arrangement at both CoII atoms (CoNS3 core). The product 2 is composed of the octahedral CoIII complex cation [Co{SSi(OBut)3}2(NH3)4]+ and the tri‐tert‐butoxysilanethiolate anion. Within the crystal two pairs of ions interact by hydrogen bonds forming well separated entities. 1 and 2 are the first structurally characterized cobalt thiolates where metal is also bonded to ammonia and 2 is the first cobalt(III) silanethiolate. 相似文献
20.
Pierre Thury Hiroyuki Takemura 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m384-m386
The title complex, diaquadipyridinelithium (N‐methyl‐p‐tert‐butyldihomoammoniocalix[4]arene‐κ4O)dioxouranium(VI) tripyridine solvate monohydrate, [Li(C5H5N)2(H2O)2][UO2(C46H58NO4)]·3C5H5N·H2O, contains an `internal' tetraphenoxide‐coordinated uranyl complex of the macrocycle, in which the protonated N atom is involved in an intramolecular hydrogen bond with the uranyl oxo group located in the cavity. The Li+ ion is in a tetrahedral environment and its two water ligands are involved in hydrogen bonds with two phenoxide O atoms, two pyridine molecules and one water molecule. This arrangement is compared with those obtained previously for other homoazacalixarenes and also for homooxacalixarenes in the presence of alkali metal hydroxides. 相似文献