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1.
A. Gueddi B. Mernari M. Giorgi M. Pierrot 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e426-e428
The reaction of the diazine ligand 3,5‐bis(2‐pyridinyl)‐1,3,4‐oxadiazole (pod, C12H8N4O), with Cu(CF3SO3)2 or Ni(ClO4)2 afforded the title complexes diaquabis[3,5‐bis(2‐pyridinyl)‐1,3,4‐oxadiazole‐N2,N3]copper(II) bis(trifluoromethanesulfonate), [Cu(pod)2(H2O)2](CF3SO3)2, and diaquabis[3,5‐bis(2‐pyridinyl)‐1,3,4‐oxadiazole‐N2,N3]nickel(II) diperchlorate, [Ni(pod)2(H2O)2](ClO4)2. Both complexes present a crystallographically centrosymmetric mononuclear cation structure which consists of a six‐coordinated CuII or NiII ion with two pod molecules acting as bidentate ligands and two axially coordinated water molecules. 相似文献
2.
G. Mazumder M. De S. K. Mazumder A. Mukhopadhyay A. K. Das A. Van Aerschot 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):560-561
The title compound, 9(R)‐[6(R)‐hydroxymethyl‐1‐oxa‐4‐thiacyclohexan‐2‐yl]‐1,9‐dihydro‐6H‐purin‐6‐one–water (4/3), C10H12N4O3S·0.75H2O, crystallizes in the triclinic space group P1 with four molecules in the asymmetric unit and 0.75 waters of hydration per molecule. The structure was refined to an R value of 0.072 for 3382 observed reflections. The four crystallographically independent molecules are designated A, B, C and D. All four oxathiane rings adopt the chair conformation and the purine bases are in an anti orientation with respect to the sugar moieties. Molecules A and D and molecules C and B are base paired by a single hydrogen bond of the type N—H?N. These base pairs are again hydrogen bonded to their translated pairs in the direction of a cell diagonal. 相似文献
3.
Graham King Philip Coppens Milan Gembicky 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m329-m332
Two new salts of the cation [CuI(dmp)2]+ (dmp is 2,9‐dimethyl‐1,10‐phenanthroline, C14H12N2), namely bis[bis(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)copper(I)] bis(hexafluorophosphate) hemi[bis(4‐pyridylmethylidene)hydrazine] acetonitrile solvate, [Cu(C14H12N2)2]2(PF6)2·0.5C12H10N4·C2H3N or [Cu(dmp)2]2(PF6)2·0.5(bpmh)·CH3CN [bpmh is bis(4‐pyridylmethylidene)hydrazine, C12H10N4], (I), and bis(2,9‐dimethyl‐1,10‐phenanthroline‐κ2N,N′)copper(I) dicyanamide, [Cu(C14H12N2)2](C2N3) or [Cu(dmp)2][N(CN)2], (II), are reported. The Cu—N bond lengths and the distortion from idealized tetrahedral geometry of the dmp ligands are discussed and compared with related compounds. The bpmh molecule in (I) is π–π stacked with a dmp ligand at a distance of 3.4 Å, rather than coordinated to the metal atom. The molecule lies across an inversion center in the crystal. In (II), the normally coordinated dicyanamide molecule is present as an uncoordinated counter‐ion. 相似文献
4.
Hai‐Ying Wang Shyh‐Jiun Liu Ru‐Ji Wang Chan‐Cheng Su 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(12):m512-m515
The organic ligands 4‐methyl‐1H‐imidazole and 2‐ethyl‐4‐methyl‐1H‐imidazole react with Cu(CF3SO3)2·6H2O to give tetrakis(5‐methyl‐1H‐imidazole‐κN3)copper(II) bis(trifluoromethanesulfonate), [Cu(C4H6N2)4](CF3SO3)2, and aquatetrakis(2‐ethyl‐5‐methyl‐1H‐imidazole‐κN3)copper(II) bis(tri fluoromethanesulfonate), [Cu(C6H10N2)4(H2O)](CF3SO3)2. In the former, the Cu atom has an elongated octahedral coordination environment, with four imidazole rings in equatorial positions and two trifluoromethanesulfonate ions in axial positions. This conformation is similar to those in the analogous complexes tetrakis(imidazole)copper(II) trifluoromethanesulfonate and tetrakis(2‐methyl‐1H‐imidazole)copper(II) trifluoromethanesulfonate. In the second of the title compounds, the ethyl groups block the central Cu atom, and a square‐pyramidal coordination environment is formed around the Cu atom, with the substituted imidazole rings in the basal positions and a water molecule in the axial position. 相似文献
5.
Kari Ahonen Arto Valkonen Erkki Kolehmainen 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):m290-m292
The title salt, (C5H5N4S)2[ZnCl4], consists of two 6‐thioxo‐1,6‐dihydropurinium (6mpH2+) cations (A and B) and a tetrachlorozincate anion, which are held together by N—H⋯Cl and C—H⋯Cl interactions. There is an anion–π interaction between one Cl atom of the [ZnCl4]− anion and the pyrimidine ring of the 6mpH2+(B) cation. Intermolecular π–π stacking interactions allow 6mpH2+(A) cations to form antiparallel pairs. One interesting structural feature is the double N—H⋯N intermolecular hydrogen bonds between two 6mpH2+(A) cations. This kind of interaction, mimicking that of natural nucleobases, can be very valuable in designing new therapeutic purine derivatives. 相似文献
6.
Ahmet Bulut brahim Uar Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m266-m268
In the crystal structure of the synthetically prepared title compound, [Cu(C14H12N2)2](C4HO4)·0.5H2O or [Cu(dmphen)2](HSq)·0.5H2O (dmphen is 2,9‐dimethyl‐1,10‐phenanthroline or neocuproine and HSq is hydrogen squarate), the CuI centre has distorted tetrahedral coordination geometry comprised of four N atoms from two bidentate dmphen ligands. The squarate monoanions form a ten‐membered dimer, graph set R22(10), linked by two strong intermolecular O—H⋯O hydrogen bonds. These squarate dimers are linked into chains that propagate along the [100] direction. An extensive three‐dimensional network of C—H⋯O hydrogen bonds and π–π interactions is responsible for stabilization of the crystal structure. 相似文献
7.
Rinat Shoshnik Helena Elengoz Israel Goldberg 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):m187-m189
In the title compound, diaquabis(1,4‐di‐4‐pyridyl‐2,3‐diaza‐1,3‐butadiene)dimethanolzinc(II) bis(perchlorate) 1,4‐di‐4‐pyridyl‐2,3‐diaza‐1,3‐butadiene methanol 1.72‐solvate 1.28‐hydrate, [Zn(C12H10N4)2(CH4O)2(H2O)2](ClO4)2·C12H10N4·1.72CH4O·1.28H2O, determined at ca 110 K, the Zn cation and the extended dipyridyl ligand both lie across inversion centres in space group P. The structure consists of a network arrangement of the constituent species stabilized by a combination of coordination, hydrogen bonding and π–π forces. Uncoordinated methanol and water solvent molecules occupy the otherwise void spaces within and between the networks. 相似文献
8.
Yi‐Hang Wen Jian Zhang Jian‐Kai Cheng Zhao‐Ji Li Ye‐Yan Qin Yao Kang Rui‐Feng Hu Yuan‐Gen Yao 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m248-m249
The crystal structure of the title compound, [Zn(C5H5NS)4](NO3)2, consists of a [Zn(C5H5NS)4]2+ (C5H5NS is pyridinium‐2‐thiolate) cation and two nitrate anions. The central ZnII atom lies at a site with imposed symmetry and is surrounded by four S atoms [Zn—S = 2.3371 (5) Å] from four symmetrical pyridinium‐2‐thiolate ligands in a distorted tetrahedral geometry. There are N—H⋯O hydrogen‐bonding interactions between the pyridinium‐2‐thiolate ligands and nitrate O atoms. In addition, π–π interactions via aromatic N‐containing ligands are discussed. 相似文献
9.
Zheng‐Liang Lü Zhi‐Liang Liu De‐Qing Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(3):m147-m150
In the two isomorphous title compounds, viz. tris[2,2′‐bi(4,5‐dihydro‐1,3‐oxazole)‐κ2N,N′]copper(II) diperchlorate, [Cu(C6H8N2O2)3](ClO4)2, (I), and tris[2,2′‐bi(4,5‐dihydro‐1,3‐oxazole)‐κ2N,N′]nickel(II) diperchlorate, [Ni(C6H8N2O2)3](ClO4)2, (II), the MII ions each have a distorted octahedral coordination geometry formed via six N atoms from three 2,2′‐bioxazoline ligands. For each ligand, the two five‐membered rings are nearly coplanar. It is noteworthy that the Jahn–Teller effect is stronger in (I) than in (II). The three‐dimensional supramolecular structures of (I) and (II) are formed via weak hydrogen‐bonding interactions between O atoms from perchlorate anions and H atoms from 2,2′‐bioxazoline ligands. 相似文献
10.
Surajit Banerjee Alok K. Mukherjee Bidisha Nandi Nitya G. Kundu Madeleine Helliwell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1490-1491
The title compound, C20H19NO2S2, is formed by a palladium–copper‐catalyzed reaction between 4‐methyl‐N‐[2‐(prop‐2‐ynylsulfanyl)phenyl]benzenesulfonamide and p‐iodotoluene. The molecules contain three essentially planar parts, namely an aminothiophenol moiety (A), a toluenesulfone moiety excluding the oxo ligands (B) and a tolyl group (C), approximately orthogonal to each other; the dihedral angles A/B, A/C and B/C are 111.6 (1), 89.3 (1) and 101.4 (1)°, respectively. Intermolecular N—H?O hydrogen bonds link the molecules into infinite one‐dimensional chains. 相似文献
11.
Tadashi Yamaguchi Fumie Yamazaki Tasuku Ito 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m213-m214
(1,4,7‐Trithiacyclononane)silver trifluoromethanesulfonate crystallizes in a tetrameric form from nitromethane, to give the title compound, [Ag4(C6H12S3)4](CF3SO3)4·2CH3NO2. The complex cation consists of four [AgL]+ units (L is 1,4,7‐trithiacyclononane), with four Ag—S—Ag bridges forming a cyclic tetramer. The almost planar Ag4S4 ring takes an octagonal form. 相似文献
12.
Jin‐Yu Sun Zhen Zhao Yong‐Chao Ma Miao‐Li Zhu Xiang‐Dong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(1):m4-m6
The crystal structure of the title compound, μ‐2‐hydroxybutanedioato‐1κ2O4,O4′:2κ3O1,O2,O4‐nitrato‐2κO‐tris(1,10‐phenanthroline)‐1κ4N,N′;2κ2N,N′‐dicopper(II) nitrate tetrahydrate, [Cu2(C4H3O5)(NO3)(C12H8N2)3](NO3)·4H2O, contains an unsymmetrical dinuclear copper complex with Cu(phen)2 and Cu(phen)(NO3) moieties (phen is 1,10‐phenanthroline) bridged by a malate (2‐hydroxybutanedioate) ligand, which acts as a double‐bridging and tetradentate ligand. As a result of this double‐bridging action, especially the direct coordination of the O atom of one carboxylate group of malate to the two Cu atoms, the Cu⋯Cu distance is only 4.199 (1) Å and the two phen planes are roughly parallel [the shortest interplanar distance is 3.28 (1) Å], exhibiting an obvious intramolecular π–π stacking interaction. 相似文献
13.
Yi‐Bin Wei Cai‐Xia Yuan Pin Yang 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m512-m514
The stoichiometric reaction of 1,10‐phenanthroline (phen), iminodiacetic acid (IDA‐H2) and Cu(ClO4)2 in a H2O–CH3OH (2:1) solution yields μ‐iminodiacetato‐2:1κ4O,N,O′:O′′‐tris(1,10‐phenanthroline)‐1κ4N,N′;2κ2N,N′‐dicopper(II) diperchlorate methanol solvate, [Cu2(C4H5NO4)(C12H8N2)3](ClO4)2·CH3OH. The IDA ligand bridges the two CuII ions via a carboxylate group and uses one further N and an O atom of the second carboxylate group to complete a fac‐tridentate coordination at one Cu centre. A phen ligand completes a distorted square‐pyramidal coordination at this metal atom, although there is weak coordination by a perchlorate O atom at a sixth position. The second Cu centre has a distorted trigonal–bipyramidal coordination to two phen moieties and a carboxylate O atom. 相似文献
14.
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
15.
Ying‐Hong Lu Hoong‐Kun Fun Suchada Chantrapromma Ibrahim Abdul Razak Zhen Shen Jing‐Lin Zuo Xiao‐Zeng You 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(8):911-913
The title dinuclear di‐μ‐oxo‐bis[(1,4,8,11‐tetraazacyclotetradecane‐κ4N)manganese(III,IV)] diperchlorate nitrate complex, [Mn2O2(C10H24N4)2](ClO4)2(NO3) or [(cyclam)MnO]2(ClO4)2(NO3), was self‐assembled by the reaction of Mn2+ with 1,4,8,11‐tetraazacyclotetradecane in aqueous media. The structure of this compound consists of a centrosymmetric binuclear [(cyclam)MnO]3+ unit, two perchlorate anions and one nitrate anion. While the low‐temperature electron paramagnetic resonance spectra show a typical 16‐line signal for a di‐μ‐oxo MnIII/MnIV dimer, the magnetic susceptibility studies also confirm a characteristic antiferromagnetic coupling between the electronic spins of the MnIV and MnIII ions. 相似文献
16.
M. Scott Goodman Margaret A. Goodman Andrey Y. Kovalevsky Alexander Y. Nazarenko Donald Pope 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m30-m32
The title copper(II) complex, [Cu(C22H18N6)2](ClO4)2·2C2H3N, comprises two neutral substituted tris(pyrazol‐1‐yl)methane ligands bonded to a central CuII ion, which is positioned on a crystallographic inversion center. Six Cu—N bonds are arranged in a distorted octahedral fashion. The unsubstituted pyrazole rings on each ligand are oriented trans with respect to each other, interdigitated with the two 3‐phenylpyrazole rings of the other ligand. 相似文献
17.
Yoshio Wada Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):m511-m513
In trans‐bis(5‐n‐butylpyridine‐2‐carboxylato‐κ2N,O)bis(methanol‐κO)copper(II), [Cu(C10H12NO2)2(CH4O)2], the Cu atom lies on a centre of symmetry and has a distorted octahedral coordination. The Cu—O(methanol) bond length in the axial direction is 2.596 (3) Å, which is much longer than the Cu—O(carboxylate) and Cu—N distances in the equatorial plane [1.952 (2) and 1.977 (2) Å, respectively]. In mer‐tris(5‐n‐butylpyridine‐2‐carboxylato‐κ2N,O)iron(III), [Fe(C10H12NO2)3], the Fe atom also has a distorted octahedral geometry, with Fe—O and Fe—N bond‐length ranges of 1.949 (4)–1.970 (4) and 2.116 (5)–2.161 (5) Å, respectively. Both crystals are stabilized by stacking interactions of the 5‐n‐butylpyridine‐2‐carboxylate ligand, although hydrogen bonds also contribute to the stabilization of the copper(II) complex. 相似文献
18.
M. A. H. Khan T. K. Prasad M. V. Rajasekharan 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m281-m283
2‐(2‐Aminoethyl)pyridine (2‐aep, C7H10N2) acts as a bridging ligand in bis[μ‐2‐(2‐aminoethyl)pyridine‐κ2N:N′]disilver(I) dinitrate, [Ag2(2‐aep)2](NO3)2, and bis[μ‐2‐(2‐aminoethyl)pyridine‐κ2N:N′]disilver(I) diperchlorate, [Ag2(2‐aep)2](ClO4)2. Both salts contain the dinuclear [Ag2(2‐aep)2]2+ cation, which possesses a crystallographic inversion center. The Ag⋯Ag distance is 3.1163 (5) Å for the nitrate and 3.0923 (3) Å for the perchlorate salt, and may indicate a weak d10–d10 interaction in each case. Essentially linear coordination of the AgI atom is perturbed by weak coordination to the anionic O atoms. These latter interactions organize the dinuclear cations into one‐dimensional polymeric chains in the crystals of the two salts. 相似文献
19.
Wei Sun Yan‐Tuan Li Zhi‐Yong Wu Ning‐Yu Xiao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m111-m113
In the crystal structure of the title complex, [Ni2(C10H20N4O2)(C12H12N2)2](ClO4)2 or [Ni(dmaeoxd)Ni(dmbp)2](ClO4)2 {H2dmaeoxd is N,N′‐bis[2‐(dimethylamino)ethyl]oxamide and dmbp is 4,4′‐dimethyl‐2,2′‐bipyridine}, the deprotonated dmaeoxd2− ligand is in a cis conformation and bridges two NiII atoms, one of which is located in a slightly distorted square‐planar environment, while the other is in an irregular octahedral environment. The cation is located on a twofold symmetry axis running through both Ni atoms. The dmaeoxd2− ligands interact with each other via C—H⋯O hydrogen bonds and π–π interactions, which results in an extended chain along the c axis. 相似文献
20.
Rong Cao Mutai Bao Jiabao Weng Weiping Su Maochun Hong 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e185-e186
The title centrosymmetric CuII binuclear complex, bis(μ‐N,N‐diethyl‐1,1‐diselenocarbamato‐Se,Se′:Se)bis[(N,N‐diethyl‐1,1‐diselenocarbamato‐Se,Se′)copper(II)], [Cu(Se2CNEt2)2]2 or [Cu2(C5H10NSe2)4], is built from two symmetry‐related [Cu{Se2CN(Et)2}2] units by pairs of Cu—Se bonds. The coordination geometry at the unique Cu atom is distorted square pyramidal, with Cu—Se distances in the range 2.4091 (11)—2.9095 (10) Å. 相似文献