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1.
Osman Dayan Muharrem Diner Namk
zdemir Bekir etinkaya 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m77-m80
In the title compound, [RuCl2(C2H3N)(C27H31N3)]·0.5CH2Cl2, the RuII ion is six‐coordinated in a distorted octahedral arrangement, with the two Cl atoms located in the apical positions, and the pyridine (py) N atom, the two imino N atoms and the acetonitrile N atom located in the basal plane. The dichloromethane solvent molecule lies on a twofold axis. The two equatorial Ru—Nimino distances are almost equal (mean 2.089 Å) and are substantially longer than the equatorial Ru—Npy bond [1.914 (4) Å]. It is observed that the Nimino—M—Npy bond angle for the five‐membered chelate rings of pyridine‐2,6‐diimine complexes is inversely related to the magnitude of the M—Npy bond. The title structure is stabilized by intra‐ and intermolecular C—H⋯Cl hydrogen bonds. The intermolecular hydrogen bonds form an R66(24) ring and a chain of edge‐fused rings running parallel to the [001] direction. 相似文献
2.
Takumi Konno Takashi Yoshimura Masakazu Hirotsu 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):538-539
In the title compound, [Co(C2H6NS)(C2H8N2)2](NO3)2, the CoIII atom has a slightly distorted octahedral geometry, coordinated by one 2‐aminoethanethiolate and two ethylenediamine ligands. The three five‐membered chelate rings adopt a gauche conformation with the unfavoured (lel)2(ob) form, which is ascribed to hydrogen bonds between the amine groups in the complex cation and the nitrate counter‐anions [N?O 2.900 (3)–3.378 (3) Å]. 相似文献
3.
Goran A. Bogdanovi Djenana U. Miodragovi Mijat J. Malinar 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):m338-m340
The title compound, [Co(C9H10NO3)2(C2H8N2)]Cl·4H2O, is one of six possible diastereomers of the (1,2‐diaminoethane)bis(S‐tyrosinato)cobalt(III) complex. The cobalt(III) ion has an octahedral coordination, with three five‐membered chelate rings which have deformed coordination angles and coordinated O atoms in trans positions. In comparison with the previously reported crystal structure of the Δ‐C1‐cis(O) diastereomer [Miodragovi?et al. (2001). Enantiomer, 6 , 299–308], the compound presented in this paper has more planar five‐membered aminocarboxylate rings. Complex cations, chloride anions and water molecules of crystallization are linked together by a network of hydrogen bonds. The chloride anions lie approximately between two Co atoms and form hydrogen bonds with all coordinated NH2 groups. In the crystal structure, there is a weak intermolecular π?π interaction between the phenyl rings. 相似文献
4.
Vukadin M. Leovac Goran A. Bogdanovi Valerija I. eljevi Vladimir Divjakovi 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):936-938
The title compound, [diacetylpyridine bis(S‐methylisothiosemicarbazonato)]iodonickel(II), [Ni(C13H18N7S2)I], is the first example of a complex involving the 2N coordination of the isothiosemicarbazide moiety. 2,6‐Diacetylpyridine bis(S‐methylisothiosemicarbazone), as a potentially pentadentate ligand (N5), is coordinated as a tetradentate species, whereby one (deprotonated) isothiosemicarbazide moiety is coordinated in the usual way (1N4N), but the other (neutral) is bonded via the 2N atom only, the fourth ligator being the pyridine nitrogen. The difference in coordination mode of the isothiosemicarbazide moiety is reflected in the 1N—2N bond lengths of 1.359 (4) and 1.379 (3) Å in the deprotonated and undeprotonated moieties, respectively. The structure contains three fused chelate rings in a 5:5:6 arrangement. The six‐membered ring has a non‐planar conformation. 相似文献
5.
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
6.
Jonna Jokiniemi Sirpa Perniemi Jouko Vepslinen Markku Ahlgrn 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(4):m165-m167
The novel title compound, [Ba3(C3H5Cl2O6P2)2(C3H6O)(H2O)4]n, has a polymeric two‐dimensional network structure which lies parallel to the (10) plane. The asymmetric unit consists of three independent Ba2+ ions, two of them eight‐coordinated and the third nine‐coordinated, and two independent ethyl (dichloromethylene)diphosphonate(3−) ligands, one acetone ligand and four aqua ligands. The coordination environments around the BaO8 polyhedra are best described as bicapped trigonal prismatic, while the BaO9 polyhedron is in a distorted tricapped trigonal prismatic geometry. The two diphosphonate ligands adopt different coordination modes. Both ligands chelate three metal cations, but one is coordinated to six metal cations in total and forms two six‐membered and one four‐membered chelate ring, while the other is coordinated to five metal cations in total and forms one six‐membered and two four‐membered chelate rings, the fifth unsubstituted O atom remaining uncoordinated. 相似文献
7.
Kelly Flood Neil F. Curtis Ward T. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(2):m78-m80
The title compound, [Co(NCS)2(C11H26N4)]2[Zn(NCS)4]·C2H5OH, has two similar cations with the CoIII atom coordinated in a planar fashion by the 13‐membered cyclic tetraamine, in the 1R,4S,7R,10S configuration, and with trans isothiocyanate ligands. The six‐membered chelate ring is in a chair conformation, with one axially and one equatorially oriented methyl substituent [mean Co—N = 1.948 (2) Å]. The `opposite' chelate ring (N4 and N7) is in an eclipsed conformation [mean Co—N = 1.928 (2) Å], and the `side' chelate rings have gauche conformations. The mean Co—NNCS distance is 1.928 (2) Å. Both cations have one Co—N—C group nearly linear and the other appreciably bent, with mean Co—N—C angles of 178.7 (1) and 160.4 (1)°, respectively. The [Zn(NCS)4]2− anion is approximately tetrahedral, with Zn—N = 1.951 (1)–1.986 (1) Å, N—Zn—N = 104.5 (1)–111.9 (1)° and Zn—N—C = 152.5 (1)–179.4 (1)°. One NH group is hydrogen bonded to the ethanol O atom and the other NH groups are bonded to thiocyanate S atoms, forming a network. 相似文献
8.
《Magnetic resonance in chemistry : MRC》2003,41(1):61-64
Palladium(II) dichloride reacts with 1,10‐bis(2‐pyrrolyl)‐2,5,9‐triaza‐1,9‐decadiene to give a [Pd(C15H20N5)]Cl complex in which the ligand is four‐coordinated, leaving one pyrrole group dangling. By using COSY, gHSQC, gHMBC connectivities and NOE experiments it has been concluded that one linkage isomer exists in DMSO solution, in spite of the fact that different sets of N atoms of potentially pentadentate ligand might be involved in coordination, and that the three chelate rings in the complex cation are arranged in a sequence: five‐membered, six‐membered, five‐membered which is different from that (5–5–6) found by x‐ray studies on the related [Ni(C15H20N5)]Cl compound. NMR studies allowed an unambiguous assignment of all 1H and 13C NMR resonances for the complex. Results of x‐ray structural analysis of [Pd(C15H20N5)](CH3COO)H2O supported the five‐membered, six‐membered, five‐membered ring sequence in the [Pd(C15H20N5)]+ complex cation and show an E (trans) orientation of the dangling pyrrole group with respect to the metal center. Copyright © 2002 John Wiley & Sons, Ltd. 相似文献
9.
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
10.
Omer Andac Yildiray Topcu Veysel T. Yilmaz William T. A. Harrison 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(1):m14-m16
The structure of the title complex consists of isolated [Cd(C7H4NO3S)2(C4H11NO2)2] units. The Cd2+ cation lies on an inversion centre and is octahedrally coordinated by two N,O‐bidentate diethanolamine (dea) and two N‐bonded saccharinate (sac) ligands [saccharin is 1,2‐benzisothiazol‐3(2H)‐one 1,1‐dioxide]. The dea ligands constitute the equatorial plane of the octahedron, forming two five‐membered chelate rings around the CdII ion, while the sac ligands are localized at the axial positions. The Cd—Nsac, Cd—Ndea and Cd—Odea bond distances are 2.3879 (12), 2.3544 (14) and 2.3702 (13) Å, respectively. The H atoms of the free and coordinated hydroxyl groups of the dea ligands are involved in hydrogen bonding with the carbonyl and sulfonyl O atoms of the neighbouring sac ions, while the amine H atom forms a hydrogen bond with the free hydroxyl O atom. The individual molecules are held together by strong hydrogen bonds, forming an infinite three‐dimensional network. 相似文献
11.
Pascale Lemoine Karima Bendada Bernard Viossat 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(10):m489-m491
The asymmetric unit of the title compound, [Zn(C7H5O3)2(C10H8N2)], contains one monomeric zinc complex. The Zn atom is coordinated to one 2,2′‐bipyridyl ligand via both N atoms and to two salicylate anions (Hsal−) in a bidentate chelating manner involving carboxylate O‐atom coordination. The complex exhibits a distorted octahedral geometry about the ZnII atom, with the `apical' positions occupied by one of the two N atoms of the bipyridyl ligand and an O atom from one Hsal− ligand; the Zn atom is 0.168 (1) Å out of the `basal' plane. Two intramolecular six‐membered hydrogen‐bonded rings are present, generated from interactions between the carboxyl and hydroxyl groups of the salicylate ligands. The crystal packing is governed by weak C—H⋯O and C—H⋯π interactions. 相似文献
12.
A. Abdul Ajees S. Parthasarathy S. Manikandan R. Raghunathan 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(4):473-475
The title compound, C23H15Cl2NO3, crystallizes with two independent molecules in the asymmetric unit. The chromanone moiety consists of a benzene ring fused with a six‐membered heterocyclic ring which adopts a sofa conformation. The five‐membered spiroisoxazoline ring is in an envelope conformation. The p‐chlorophenyl rings bridged by the five‐membered ring are nearly perpendicular to each other. The chromanone moiety of one molecule packs into the cavity formed by the p‐chlorophenyl rings of a second molecule through the formation of C—H?π interactions. The structure is stabilized by weak C—H?O, C—H?Cl and C—H?π interactions. 相似文献
13.
Baolong Li Baozong Li Xia Zhu Liming Zhu Yong Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m350-m351
The coordination geometry of the ZnII atom in the title complex, [Zn(C2N3)2(C6H8N6)2]n or [Zn(dca)2(bte)2]n, where bte is μ‐1,2‐bis(1,2,4‐triazol‐1‐yl)ethane and dca is dicyanamide, is distorted compressed octahedral, in which the ZnII atom lies on an inversion center and coordinates four N atoms from the triazole rings of four symmetry‐related bte ligands and two N atoms from two symmetry‐related monodentate dca ligands. The structure is polymeric, with 18‐membered spiro‐fused rings extending in the b direction and each 18‐membered ring involving two inversion‐related bte molecules. 相似文献
14.
Alexander V. Pestov Eugenia V. Peresypkina Alexander V. Virovets Nina V. Podberezskaya Yury G. Yatluk Yury A. Skorik 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m510-m512
The CuII ion in the title complex, [Cu(C5H10NO3)2] or [Cu(He‐ala)2] [He‐ala = N‐(2‐hydroxyethyl)‐β‐alaninate], resides at the inversion centre of a square bipyramid comprised of two facially arranged tridentate He‐ala ligands. Each He‐ala ligand binds to a CuII ion by forming one six‐membered β‐alaninate chelate ring in a twist conformation and one five‐membered ethanolamine ring in an envelope conformation, with Cu—N = 2.017 (2) Å, Cu—OCOO = 1.968 (1) Å and Cu—OOH = 2.473 (2) Å. The [Cu(He‐ala)2] molecules are involved in a network of O—H⋯O and N—H⋯O hydrogen bonds, forming layers parallel to the (10) plane. The layers are connected into a three‐dimensional structure by van der Waals interactions, so that the molecular centres form pseudo‐face‐centered close packing. 相似文献
15.
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
16.
Kai Liang Yi‐Zhi Li He‐Gen Zheng Xin‐Quan Xin 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(8):m310-m312
In the title compound, [1,4‐bis(diphenylphosphino)butane‐2κ2P,P′]di‐μ‐thio‐1:2κ4S‐dithio‐1κ2S‐palladium(II)tungsten(VI) N,N′‐dimethylformamide hemisolvate hemihydrate, [PdWS4(C28H28P2)]·0.5C3H7NO·0.5H2O, the Pd atom is coordinated by two S atoms from the distorted‐tetrahedral [WS4]2− anion and two P atoms from the dppb molecule [dppb is 1,4‐bis(diphenylphosphino)butane] in an approximately square‐planar configuration. A puckered seven‐membered ring is formed by the Pd atom and the dppb ligand. 相似文献
17.
G. Vasuki S. Thamotharan V. Parthasarathi K. Ramamurthi S. Dubey D. P. Jindal 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(10):o598-o599
The title compound, C32H45N2O+·Br?·0.5H2O, has the outer two six‐membered rings in chair conformations, while the central ring is in an 8β,9α‐half‐chair conformation. The five‐membered ring of the steroid nucleus adopts a slightly deformed 14α‐envelope conformation. The pyridylmethylene moiety has an E configuration with respect to the hydroxyl group at position 17. The structure is stabilized by a network of O—H?Br‐type intermolecular hydrogen bonds. 相似文献
18.
Alok K. Mukherjee Subhadra Guha M. Wahab Khan Nitya G. Kundu Madeleine Helliwell 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(1):85-87
Two isoindolin‐1‐one derivatives, (Z)‐3‐benzylidene‐N‐phenylisoindolin‐1‐one, C21H15NO, (II), and (Z)‐3‐benzylidene‐N‐(4‐methoxyphenyl)isoindolin‐1‐one, C22H17NO2, (III), were synthesized by the palladium‐catalysed heteroannulation. The molecules of both compounds have a Z configuration. The interplanar angles between the five‐ and six‐membered rings of the isoindolinone moiety in (II) and (III) are 1.66 (11) and 2.26 (7)°, respectively. The phenyl rings at the N‐position in (II) and (III) are twisted out of the C4N ring plane by 62.77 (11) and 67.10 (7)°, respectively. The substitutions at the N and C‐3 positions of the isoindolinone system have little influence on the molecular dimensions of the resulting compounds. 相似文献
19.
Jin Yang Jian‐Fang Ma Ying‐Ying Liu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m101-m103
The title complex, [μ‐2,2′‐(1,4‐butanediyl)di‐1H‐benzimidazole‐κ2N3:N3′]bis{[2,2′‐(1,4‐butanediyl)di‐1H‐benzimidazole‐κ2N3,N3′](nitrato‐κO)cobalt(II)} dinitrate ethanol disolvate, [Co2(NO3)2(C18H18N4)3](NO3)2·2C2H6O, was obtained from self‐assembly of cobalt(II) nitrate with 2,2′‐(1,4‐butanediyl)dibenzimidazole (L). The complex molecule lies about an inversion centre and the flexible L ligands act in both bridging and chelating modes to form a dinuclear complex with unanticipated nine‐membered chelate rings. The unique uncoordinated nitrate anion is linked to the cation by pairs of N—H⋯O hydrogen bonds, which determine the overall cation conformation. Cation–anion sets are then linked by a further N—H⋯O hydrogen bond to generate a chain along [010]. Chains are linked by C—H⋯O hydrogen bonds to form sheets in the (100) plane. 相似文献
20.
Hasan budak Ahmet Bulut Naziye etin Canan Kazak 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(1):m1-m3
The crystal structure of the first acesulfame–metal complex, namely tetraaquabis[6‐methyl‐1,2,3‐oxathiazin‐4(3H)‐onato 2,2‐dioxide‐κN]cobalt(II), [Co(C4H4NO4S)2(H2O)4], is reported. The CoII ion resides on a twofold axis and is coordinated by four aqua ligands defining the basal plane and by two monodentate acesulfamate ligands, via their ring N atoms, in the axial positions. Two intra‐ and three intermolecular hydrogen‐bonding interactions stabilize the crystal structure and form an infinite three‐dimensional lattice. 相似文献