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1.
Xia Li Ying‐Quan Zou Hai‐Bin Song 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m110-m111
Each La3+ ion in the title complex, tetra‐μ‐2‐fluorobenzoato‐κ10O:O′;O:O,O′;O:O′;O,O′:O′‐bis[aqua(4,4′‐bipyridine‐κN)(2‐fluorobenzoato‐κO)lanthanum(II)], [La(C7H4FO2)6(C10H8N2)2(H2O)2], is coordinated by six O atoms from the carboxylate groups of five 2‐fluorobenzoate ligands, one O atom from a water molecule and one N atom from a 4,4′‐bipyridine molecule, thus forming a dimeric molecule. An infinite one‐dimensional dimeric supramolecular chain is formed via intermolecular hydrogen bonds. 相似文献
2.
Mamiko Odoko Ai Kusano Naomi Oya Nobuo Okabe 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m215-m216
The crystal structure of catena‐poly[[(6‐carboxypyridine‐2‐carboxylato‐κ3O,N,O′)lithium(I)]‐μ‐aqua‐κ2O:O], [Li(C7H4NO4)(H2O)]n, contains the Li+ ion coordinated to two O atoms and the N atom of the 6‐carboxypyridine‐2‐carboxylate ligand, and to two water O atoms, forming a pentavalent coordination geometry. The molecule resides on a mirror plane which contains the Li and N atoms, the para‐CH unit, and the O atom of the coordinated water molecule. The O atom of the water molecule is coordinated to two Li atoms, forming an infinite polymeric chain. 相似文献
3.
Eleonora Freire Sergio Baggio Juan Carlos Muoz Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m299-m301
The structure of the title compound, [Ni(ths)(bbip)(dmf)]·H2O [ths is thiosulfate, S2O3; bbip is 2,6‐bis(1H‐benzimidazol‐2‐yl)pyridine, C21H13N5; and dmf is dimethylformamide, C3H7NO], is monomeric, with the nickel ion octahedrally surrounded by an N,N′,N′′‐tridentate bbip molecule, an S,O‐bidentate ths molecule and an O‐monodentate dmf molecule. The H atoms of the hydration water molecule and the amino groups of bbip are involved in hydrogen bonding and determine a spatial organization of broad layers parallel to (001), which are connected by weak interactions. 相似文献
4.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m534-m536
The molecule of the title compound {systematic name: di‐μ‐sulfido‐bis[diaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)barium(II)] bis[1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide]}, [Ba2S2(C12H24O6)2(H2O)4](C7H5NO3S)2, lies on an inversion centre. The BaII atom encapsulated by the 18‐crown‐6 ring is coordinated by the six O atoms of the crown, two water O atoms and two bridging S atoms. The four‐membered ring composed of the BaII atoms and the bridging S atoms makes a dihedral angle of 67.1 (1)° with the crown‐ether ring. The aromatic ring system of the saccharin moiety is essentially planar. The packing is built up from layers of the molecules and is stabilized by three intermolecular O—H?O hydrogen bonds. 相似文献
5.
David Martínez Majid Motevalli Michael Watkinson 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m258-m260
The title compound, aquachloro{2,2′‐[1,2‐ethanediylbis(nitrilomethylidyne)]diphenolato‐κ4O,N,N′,O′}manganese(III),[MnCl(C16H14N2O2)(H2O)], is a neutral manganese(III) complex with a pseudo‐octahedral metal centre. The equatorial plane comprises the four donor atoms of the tetradentate Schiff base ligand [Mn—O 1.886 (4) and 1.893 (4) Å, and Mn—N 1.978 (5) and 1.982 (5) Å], with a water molecule [Mn—O 2.383 (4) Å] and a Cl? ligand [Mn—Cl 2.4680 (16) Å] completing the coordination sphere. The distorted geometry is highlighted by the marked displacement of the MnIII ion out of the least‐squares plane of the four Schiff base donor atoms by 0.165 (2) Å. These monomeric MnIII centres are then linked into a polymeric array via hydrogen bonds between the coordinated water molecule and the phenolic O‐atom donors of an adjacent MnIII centre [O—H?O 2.789 (5) and 2.881 (5) Å]. 相似文献
6.
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
7.
Nack‐Do Sung Ki‐Seob Yun Jin‐Gyu Kim Il‐Hwan Suh 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e370-e371
The title compound, μ‐aqua‐1:2κ2O‐pentaaqua‐1κ2O,2κ3O‐μ‐3,6‐bis(6‐methyl‐2‐pyridyl)pyridazine‐1κ2N1,N6:2κ2N2,N3‐chloro‐1κCl‐dinickel(II) trichloride trihydrate, [Ni2Cl(C16H14N4)(H2O)6]Cl3·3H2O, consists of two NiII atoms, a 3,6‐bis(6‐methyl‐2‐pyridyl)pyridazine molecule, four Cl atoms and nine water molecules. The two Ni atoms are octahedrally coordinated by N and Cl atoms, and by water molecules, and the three six‐membered rings, a pyridazine and two picolines, are planar to within 0.181 (3) Å. The crystal structure is stabilized by an intra‐ and intermolecular hydrogen‐bonding scheme involving water–water and water–chlorine interactions. 相似文献
8.
Li‐Ping Lu Si‐Si Feng Hong‐Mei Zhang Miao‐Li Zhu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(6):m283-m284
The crystal structure of the title compound, [Cu2(C12H7N2O)2]·H2O, shows that this dinuclear complex has shorter Cu—N, Cu—O and Cu—Cu distances within the coordination sphere than similar reported complexes. The complex molecule is located on a centre of symmetry and the water molecule is on a twofold axis of the space group C2/c. The discrete complex molecules are extended into a two‐dimensional supramolecular array viaπ–π stacking interactions, intermolecular Cu⋯Cu interactions and C—H⋯O hydrogen bonds. 相似文献
9.
Bao‐Zhong Zhao Xiang‐Rong Hao Zhan‐Gang Han Qiang Fu Ya‐Guang Chen 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m48-m50
A novel copper(II) coordination polymer, poly[[[aquacopper(II)]‐μ3‐2,2′‐bipyridyl‐3,3′‐dicarboxylato‐κ4N,N′:O:O′] dihydrate], {[Cu(C12H6N2O4)(H2O)]·2H2O}n, was obtained by the reaction of CuCl2·2H2O and 2,2′‐bipyridyl‐3,3′‐dicarboxylic acid (H2L) in water. In the molecule, each CuII atom is five‐coordinated and lies at the centre of a square‐pyramidal basal plane, bridged by three L ligands to form a two‐dimensional (4,4)‐network. Each L moiety acts as a bridging tetradentate ligand, coordinating to three CuII atoms through its two aromatic N atoms and two O atoms of the two carboxyl groups. The two‐dimensional square‐grid sheets superimpose in an off‐set fashion through the inorganic water layer. 相似文献
10.
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
11.
Viktor Kettmann Jan Lokaj Christoph Kratky Viktor Milata Pavol Hodul 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1007-1008
In the title compound, C14H15N3O4·H2O, there is a strong conjugation push–pull effect across the central double bond, as reflected in the molecular dimensions and the planarity of the enaminone portion of the molecule. The molecule has an intramolecular hydrogen bond between the NH and CO groups in the Z configuration, adopting the chelated form. The two π systems of the molecule (1‐methylbenzimidazole and enaminone) are deconjugated and tilted with respect to each other by 15.6 (2)°. The solvent water molecule is hydrogen bonded to the N1 atom of the 1‐methylbenzimidazolyl group. 相似文献
12.
Raffaella Soave Riccardo Destro 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(8):o507-o509
The asymmetric unit of the title compound, C22H31N3O4·H2O, incorporates one water molecule, which is hydrogen bonded to the 3‐oxo O atom of the indolizidinone system. The two rings of the peptidomimetic molecule are trans‐fused, with the six‐membered ring having a slightly distorted half‐chair conformation and the five‐membered ring having a perfect envelope conformation. The structure is stabilized by intermolecular O—H?O interactions between the water and adjacent peptide molecules, and by N—H?O interactions between the peptide molecules, which link the molecules into infinite chains. 相似文献
13.
Suchada Chantrapromma Anwar Usman Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m531-m533
In the title compound [systematic name: triaqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)(2‐nitrophenolato‐κO)barium(II)–aqua(1,4,7,10,13,16‐hexaoxacyclooctadecane‐κ6O)‐ bis(2‐nitrophenolato‐κ2O,O′)barium(II)–2‐nitrophenolate (1/1/1)], [Ba(C12H24O6)(C6H4NO3)(H2O)3][Ba(C12H24O6)(C6H4NO3)2(H2O)](C6H4NO3), the two BaII atoms encapsulated by the 18‐crown‐6 rings have different coordinations. Although both BaII atoms are coordinated to the six O atoms of the crowns, in the neutral moiety, the BaII atom is coordinated to one terminal O atom from a water molecule, two phenolate O atoms and two nitro‐group O atoms, while in the cationic moiety, the BaII atom is coordinated to three terminal O atoms from water molecules and one phenolate O atom. Both the crowns are eclipsed and translated along the b direction. In the asymmetric unit, the three components are interconnected by four O—H?O interactions. The packing is stabilized by two intermolecular C—H?O interactions and by one O—H?O interaction. 相似文献
14.
Elbieta Jesionka Anna Ciborska Wieslaw Wojnowski Jaroslaw Chojnacki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):m321-m323
The title compounds, μ‐(tri‐tert‐butoxysilanethiolato‐κ2S:S)‐bis[(tetrahydrofuran‐κO)lithium(I)], [Li2(C12H27O3SSi)2(C4H8O)2], (I), and catena‐poly[[bis(μ‐tri‐tert‐butoxysilanethiolato)‐1:2κ2S;1κS:2κS,O‐dilithium(I)]‐μ‐dimethoxyethane‐κ2O:O′], [Li2(C12H27O3SSi)2(C4H10O2)]n, (II), were obtained by the reaction of tri‐tert‐butoxysilanethiol with metallic lithium. The crude product, when recrystallized from tetrahydrofuran (THF) yields (I), and when recrystallized from 1,2‐dimethoxyethane (DME) gives (II). Compound (I) forms centrosymmetric dimers in the solid state with an Li2S2 central core, whereas (II) forms infinitely long chains, in which the centrosymmetric dimeric units are linked together by the bidentate DME ligand (also residing on an inversion centre), thus forming a coordination polymer. The formation of a one‐dimensional structure in (II) is a consequence of replacement of a monodentate THF solvent molecule with a bidentate DME molecule. 相似文献
15.
Nobuo Okabe Yasunori Muranishi 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(6):m228-m230
The title complexes, trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)cobalt(II)–water–methanol (1/2/2), [Co(C10H6NO2)2(H2O)2]·2CH4O·2H2O, and trans‐diaquabis(quinoline‐2‐carboxylato‐κ2N,O)nickel(II)–water–methanol (1/2/2), [Ni(C10H6NO2)2(H2O)2]·2CH4O·2H2O, are isomorphous and contain CoII and NiII ions at centers of inversion. Both complexes have the same distorted octahedral coordination geometry, and each metal ion is coordinated by two quinoline N atoms, two carboxylate O atoms and two water O atoms. The quinoline‐2‐carboxylate ligands lie in trans positions with respect to one another, forming the equatorial plane, with the two water ligands occupying the axial positions. The complex molecules are linked together by hydrogen bonding involving a series of ring patterns which include the uncoordinated water and methanol molecules. 相似文献
16.
Egla Y. Bivin‐Castro Sylvain Berns Jaime Escalante Guillermo Mendoza‐Díaz 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):m205-m207
In the cationic complex present in the title compound, chloro[2‐(4‐imidazolyl‐κN1)ethylamine‐κN](1,10‐phenanthroline‐κ2N,N′)copper(II) chloride monohydrate, [CuCl(C5H9N3)(C12H8N2)]Cl·H2O, the metal centre adopts a five‐coordinate geometry, ligated by the two phenanthroline N atoms, two amine N atoms of the histamine ligand (one aliphatic and one from the imidazole ring) and a chloro ligand. The geometry around the Cu atom is a distorted compressed trigonal bipyramid, with one phenanthroline N and one imidazole N atom in the axial positions, and the other phenanthroline N atom, the histamine amine N atom and the chloro ligand in the equatorial positions. The structure includes an uncoordinated water molecule, and a Cl− ion to complete the charge. The water molecule is hydrogen bonded to both Cl− ions (coordinated and uncoordinated), and exhibits a close Cu⋯H contact in the equatorial plane of the bipyramid. 相似文献
17.
Chengbing Ma Cheng Fan Changneng Chen Qiutian Liu 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(11):m553-m555
In the title compound [systematic name: aqua(1,10‐phenanthroline‐κ2N,N′)(pyridine‐2,6‐dicarboxylato‐κ3O2,N,O6)manganese(II) monohydrate, [Mn(C7H3NO4)(C12H8N2)(H2O)]·H2O, the manganese(II) centre is surrounded by one bidentate phenanthroline ligand [Mn—N = 2.248 (3) and 2.278 (3) Å], one tridentate dipicolinate ligand [Mn—N = 2.179 (3) Å, and Mn—O = 2.237 (2) and 2.266 (2) Å] and one water molecule [Mn—O = 2.117 (3) Å], and it exhibits a strongly distorted octahedral geometry, with trans angles ranging from 144.12 (9) to 158.88 (11)°. Extensive intermolecular hydrogen‐bonding interactions involving coordinated and uncoordinated water molecules and the carboxyl O atoms of the dipicolinate ligand, as well as a stacking interaction involving the phenanthroline rings, are observed in the crystal structure. 相似文献
18.
Sandra Scherb Christian Nther Wolfgang Bensch 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m135-m136
In the crystal structure of the title compound, [Ni2(C4H4O6)2(H2O)2]·3H2O, two nickel cations, two tartrate anions and two water molecules form the dimeric complex. Each nickel cation is in a distorted octahedral environment composed of four O atoms of two crystallographically independent tartrate anions, one water molecule and one O atom of a symmetry‐equivalent tartrate anion. The asymmetric unit contains three additional water molecules which are connected via hydrogen bonding. 相似文献
19.
Bing‐Xin Liu Duan‐Jun Xu 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(3):m137-m139
Crystals of the title compound, [Cr(C4H5NO4)(C6H6N4S2)(H2O)]Cl·H2O, consist of CrIII complex cations, Cl− counter‐ions and lattice water molecules. The complex cation assumes an octahedral coordination geometry, formed by a tridentate iminodiacetate dianion (IDA), a diaminobithiazole (DABT) molecule and a water molecule. The planar DABT group chelates the CrIII ion with normal Cr—N distances [2.0574 (17) and 2.0598 (17) Å], but the DABT molecule is inclined to the coordination plane by a dihedral angle of 17.23 (7)°. In the monodentate carboxylate groups of the IDA ion, the coordinated C—O bonds [1.288 (3) and 1.284 (3) Å] are much longer than the uncoordinated C—O bonds [1.222 (3) and 1.225 (3) Å]. 相似文献
20.
Paul G. Jene James A. Ibers 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):246-249
In the crystalline state, the centrosymmetric molecule 1,2,4,5‐tetrakis(cyanomethyl)benzene, C14H10N4, has one cyanomethyl group in the benzene plane and one cyanomethyl group rotated 67.2 (2)° out of the benzene plane. Molecules of methyl 3,4,5‐triacetoxybenzoate, C14H14O8, form chains with each molecule twisted 89.6 (1)° from the preceding molecule. In this orientation, a close C—H?O contact is formed, with an H?O distance of 2.34 Å. The structure of 2‐(N‐phthalimidomethyl)benzoic acid, C16H11NO4, reveals hydrogen‐bonded dimers linked by the carboxyl groups of adjacent molecules. The O4?O3 distance is 2.636 (2) Å and the O4—H?O3 angle is 171 (2)°. 相似文献