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1.
Miao Du Xian‐He Bu Xue‐Bing Leng Ya‐Mei Guo Ruo‐Hua Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1314-1315
The crystal structure of the title complex, [Ni(C6H14N2)2]Br2, consists of discrete [Ni(C6H14N2)2]2+ cations and bromide counter‐anions. The NiII ion is at the center of symmetry and is four‐coordinated by four nitrogen donors of the mesocyclic ligand 1,5‐diazacyclooctane (DACO) [Ni—N 1.935 (2)–1.937 (2) Å]. The coordination geometry of NiII can be considered as square planar and both DACO ligands take the boat–chair conformation. The bromide anions are hydrogen bonded with the nitrogen donors of the ligands to form a macrocycle‐like ring system. 相似文献
2.
brahim Uar Ahmet Bulut Okan Zafer Yeilel Halis
lmez Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m563-m566
The title mononuclear complex, [Ni(C5H2N2O4)(C3H4N2)2(H2O)2] or [Ni(HOr)(im)2(H2O)2] (im is imidazole and H3Or is orotic acid, or 2,6‐dioxo‐1,2,3,6‐tetrahydropyrimidine‐4‐carboxylic acid), has been synthesized and the crystal structure determination is reported. The NiII ion in the complex has a distorted octahedral coordination geometry comprised of one deprotonated pyrimidine N atom and the adjacent carboxylate O atom of the orotate ligand, two tertiary imidazole N atoms and two aqua ligands. An extensive three‐dimensional network of OW—H⋯O and N—H⋯O hydrogen bonds, and π–π and π–ring interactions are responsible for crystal stabilization. 相似文献
3.
Manfredo Hrner Julieta Saldanha de Oliveira Jairo Bordinhao Johannes Beck 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m586-m587
In the centrosymmetric title complex, [Ni(C7H7N4O3)2(C5H5N)2], the coordination geometry about the Ni2+ ion is octahedral, with two deprotonated 1‐methyl‐3‐(p‐nitrophenyl)triazenide 1‐oxide ions, viz. [O2NC6H4NNN(O)CH3]?, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) molecules complete the coordination sphere in positions trans to each other. The triazenide 1‐oxide ligand is almost planar, the largest interplanar angle of 8.80 (12)° being between the phenyl ring of the p‐nitrophenyl group and the plane defined by the N3O moiety. The Ni—Ntriazenide, Ni—O and Ni—Npy distances are 2.0794 (16), 2.0427 (13) and 2.1652 (18) Å, respectively. 相似文献
4.
Man‐Sheng Chen Jin‐Sheng Xu Yi‐Fang Deng Chun‐Hua Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(10):1124-1127
In the title compound, [Ni(C14H8N2O5)(H2O)2]n, the NiII cation is six‐coordinate with a slightly distorted octahedral coordination geometry and the 4‐(isonicotinamido)phthalate ligand links the NiII centres into a three‐dimensional structure with sra topology. The structure is also stabilized by N—H...O hydrogen bonding between the uncoordinated amide groups of the ligand and extensive O—H...O hydrogen bonding between the two coordinated water molecules. The magnetic and thermal stability properties of the title compound are also discussed. 相似文献
5.
Mohammad Abul‐Haj Miguel Quirs Juan M. Salas 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):934-935
The title compound, [Ni(NCS)2(C5H4N4O)2(H2O)2], crystallizes in the triclinic space group P. The molecular unit contains two neutral molecules of 4,5‐dihydro‐1,2,4‐triazolo[1,5‐a]pyrimidin‐5‐one (5HtpO) coordinated through the N atom in position 3, two thiocyanate ligands coordinated through their N atoms and two water molecules completing an octahedral environment around the NiII ion, which lies on a centre of inversion. The structure is stabilized by hydrogen bonding. Distances in the coordination sphere are Ni—N3(5HtpO) 2.132 (2), Ni—O(water) 2.085 (2) and Ni—N(thiocyanato) 2.040 (2) Å. 相似文献
6.
Santu Chakraborty B. Samanta C. R. Chowdhury S. Mitra Alok K. Mukherjee 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(11):m578-m580
In the title complex, [Ni(C21H14Br2N2O2)], the NiII atom is coordinated by the two imine N and two phenolate O atoms of the Schiff base ligand in a tetrahedrally distorted square‐planar geometry. The Ni—N and Ni—O distances are within the ranges expected for Ni–Schiff base derivatives. Intermolecular C—H⋯O hydrogen bonds link the molecules into centrosymmetric dimers, forming (12) (A) and (10) (B) rings. These dimers combine to form a supramolecular ABAB… aggregate which propagates along the [100] direction. 相似文献
7.
Neil F. Curtis Rebekah Pawley Ward T. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m352-m354
The title compound, [NiCl(C12H32N6)(H2O)]Cl3·3H2O, has the bis(diamine)‐substituted cyclic tetraamine in a planar coordination to triplet ground‐state NiII [average Ni—N = 2.068 (3) Å], with a chloride ion [Ni—Cl = 2.4520 (5) Å] and a water molecule [Ni—O = 2.177 (2) Å] coordinated in the axial sites. The amine substituents are protonated and equatorially oriented. The amine groups, ammonium groups, water molecules and chloride ions are linked by an extensive hydrogen‐bonding network. 相似文献
8.
Aijing Geng Qingfu Zhang Jiajia Wang Haina Zhang Dezhi Sun 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(3):267-271
The title complex, {[Ni(C15H11N4O2S)2(C10H8N2)(H2O)2]·H2O}n, was synthesized by the reaction of nickel chloride, 4‐{[(1‐phenyl‐1H‐tetrazol‐5‐yl)sulfanyl]methyl}benzoic acid (HL) and 4,4′‐bipyridine (bpy) under hydrothermal conditions. The asymmetric unit contains two half NiII ions, each located on an inversion centre, two L− ligands, one bpy ligand, two coordinated water molecules and one unligated water molecule. Each NiII centre is six‐coordinated by two monodentate carboxylate O atoms from two different L− ligands, two pyridine N atoms from two different bpy ligands and two terminal water molecules, displaying a nearly ideal octahedral geometry. The NiII ions are bridged by 4,4′‐bipyridine ligands to afford a linear array, with an Ni...Ni separation of 11.361 (1) Å, which is further decorated by two monodentate L− ligands trans to each other, resulting in a one‐dimensional fishbone‐like chain structure. These one‐dimensional fishbone‐like chains are further linked by O—H...O, O—H...N and C—H...O hydrogen bonds and π–π stacking interactions to form a three‐dimensional supramolecular architecture. The thermal stability of the title complex was investigated via thermogravimetric analysis. 相似文献
9.
Gareth R. Lewis Alexander J. Blake 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m398-m400
The title complex, [NiCl(C12H16N3O2)2(H2O)]NO3·2CH4O·H2O, was obtained from a methanolic solution of Ni(NO3)2·6H2O, 2‐pyridyl nitronyl nitroxide (2‐NITpy) and (NEt4)2[CoCl4]. The equatorial coordination sites of the octahedral NiII centre are occupied by two chelating radical ligands, with the axial positions occupied by the Cl? and water ligands. The H2O—Ni—Cl axis of the complex lies along a crystallographic twofold axis, so that only half the cation is present in the asymmetric unit. The Ni—Cl bond length [2.3614 (17) Å] is significantly shorter than distances typical of octahedral NiII centres [2.441 (5) Å]. However, with only one nitrate anion per formula unit, the oxidation state of the metal must be assigned as NiII. The 2‐NITpy ligands bend away from the equatorial plane, forming a hydrophobic region around the Cl atoms. Conversely, the ligated water molecule forms moderately strong hydrogen bonds with the disordered methanol solvent molecules, which in turn form interactions with the water of crystallization and the disordered nitrate anion. These interactions combine to give hydrophilic regions throughout the crystal structure. 相似文献
10.
Liang Shen Zhi Min Jing 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(12):m591-m592
The title complex, {[Ni(C2H8N2)3][Na(NCS)3(H2O)]}n, consists of discrete [Ni(en)3]2+ dications (en is ethylenediamine) and polymeric [(H2O)0.5Na(NCS)3(H2O)0.5]n2n? anions. The compound crystallizes in space group Pc1. The NiII atom lies on a threefold axis and has a distorted octahedral coordination geometry. The Na+ cation also lies on a site with imposed crystallographic threefold symmetry and is coordinated by the thiocyanate N atoms (the thiocyanates are in general positions), by one water molecule with crystallographically imposed 32 symmetry and by a second water molecule with crystallographically imposed symmetry. The unique Na atom thus has trigonal–bipyramidal coordination. The O atoms of the water molecules bridge the Na+ cations to form one‐dimensional polymeric chains in the crystal structure. The [Ni(en)3]2+ dications are distributed around and between the chains and are linked to them via N—H?S hydrogen bonds. 相似文献
11.
Andrey I. Buvaylo Nikolay M. Dudarenko Igor O. Fritsky Jolanta
witek‐Kozowska 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(8):m331-m333
The title compound, [Ni(C2H8N2)3][Ni(C3HN3O2)2]·H2O, appears to be a modular associate consisting of two complex counter‐ions, containing bivalent nickel as the central atom in both cases, and a solvent water molecule. The NiII ion in the complex cation lies on the C2 crystallographic axis. Its coordination environment is formed by six N atoms of three ethylenediamine (en) molecules, representing a distorted octahedral geometry. The NiII ion in the complex anion occupies a position at the center of inversion. It exhibits a distorted square‐planar coordination geometry formed by four N atoms belonging to the deprotonated oxidoimine and amide groups of the two doubly charged 2‐cyano‐2‐(oxidoimino)acetamidate anions, situated in trans positions with respect to each other. In the crystal packing, the complex anions are linked by water molecules via hydrogen bonds between the amide O atoms and water H atoms, forming chains translated along the a direction. The [Ni(en)3]2+ cations fill empty spaces between the translational chains, connecting them by hydrogen bonds between the oxime and amide O atoms of the anions and the amine H atoms of the cations, forming layers along the ac plane. The water molecules provide connection between layers through N atoms of the cations, thus forming a three‐dimensional modular structure. 相似文献
12.
Bi‐Yun Su Jia‐Xiang Wang Xiang Liu Qian‐Ding Li 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(8):851-854
In the title compound, [Ni(C12H11N2)2], the NiII cation lies on an inversion centre and has a square‐planar coordination geometry. This transition metal complex is composed of two deprotonated N,N′‐bidentate 2‐[(phenylimino)ethyl]‐1H‐pyrrol‐1‐ide ligands around a central NiII cation, with the pyrrolide rings and imine groups lying trans to each other. The Ni—N bond lengths range from 1.894 (3) to 1.939 (2) Å and the bite angle is 83.13 (11)°. The Ni—N(pyrrolide) bond is substantially shorter than the Ni—N(imino) bond. The planes of the phenyl rings make a dihedral angle of 78.79 (9)° with respect to the central NiN4 plane. The molecules are linked into simple chains by an intermolecular C—H...π interaction involving a phenyl β‐C atom as donor. Intramolecular C—H...π interactions are also present. 相似文献
13.
Hong‐Yu Chen Qi Fang Gang Xue Wen‐Tao Yu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m535-m537
In the title compound, {[K2Ni(C5O5)2(H2O)2]·4H2O}n, the Ni atom lies on an inversion centre. Two inversion‐related croconate [4,5‐dihydroxy‐4‐cyclopentene‐1,2,3‐trionate(2−)] ligands and an NiII ion form a near‐planar symmetrical [Ni(C5O5)2]2− moiety. The near‐square coordination centre of the moiety is then extended to an octahedral core by vertically bonding two water molecules in the [Ni(C5O5)2(H2O)2]2− coordination anion. The crystal structure is characterized by a three‐dimensional network, involving strong K⋯O⋯K binding, K⋯O—Ni binding and hydrogen bonding. 相似文献
14.
Marcos A. De Brito Adailton J. Bortoluzzi Alessandra Greatti Augusto S. Ceccato Antnio C. Joussef Sueli M. Drechsel 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1188-1190
The binuclear cation of the title compound, [Ni2(C33H29N4O3)(H2O)4]C2H3O2·C3H7NO·0.75H2O, was synthesized as a model for the active site of urease. Two tridentate halves of the symmetrical 2,6‐bis{[(2‐hydroxyphenyl)(2‐pyridylmethyl)amino]methyl}‐4‐methylphenolate (BPPMP3?) ligand are arranged in a meridional fashion around the two NiII ions, with the phenoxo O atom bridging the NiII ions. The cation has an approximate twofold rotation axis running through the C—O bond of the bridging phenolate group. Four water molecules complete the octahedral environment of each NiII ion. 相似文献
15.
Christopher Glidewell George Ferguson Richard M. Gregson Alan J. Lough 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):174-176
The title compound, [Ni(C7H5O3)2(C10H24N4)], contains octahedral NiII in a centrosymmetric trans configuration with Ni—N distances of 2.0637 (17) and 2.0699 (16) Å and an Ni—O distance of 2.1100 (14) Å. The molecules are linked by a single type of O—H?O hydrogen bond [O?O 2.618 (2) Å and O—H?O 161°] into two‐dimensional sheets; a singletype of N—H?O hydrogen bond [N?O 2.991 (2) Å and N—H?O 139°] links these sheets into a three‐dimensional framework. 相似文献
16.
Fatma Tezcan Hümeyra Paaolu Okan Z. Yeilel Halis
lmez Hasan Ibudak Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m335-m337
In the crystal structure of the title compound, [Ni(C6H6N2O)2(H2O)2](C7H4NO3S)2·4H2O or [Ni(pia)2(H2O)2](sac)2·4H2O (pia is picolinamide or pyridine‐2‐carboxamide, and sac is the saccharinate anion), the Ni2+ cation, located on a centre of symmetry, is coordinated by two symmetry‐related aqua ligands together with a pair of symmetry‐related bidentate pia molecules and exhibits a distorted octahedral environment. The unique unligated sac anion in the asymmetric unit resides on a general position and has a single negative charge. The coordinated water molecules link the sac ions to the metal complex via O—H⋯O hydrogen bonds. In addition, the sac ions are linked to the metal complex via intermolecular π–π interactions between the benzene ring of the sac ion and the pyridine ring of a pia ligand. Each uncoordinated water molecule is hydrogen bonded to sac moieties through O—H⋯O and O—H⋯N hydrogen bonds. 相似文献
17.
Hong‐Ping Xiao Zhan Shi Long‐Guan Zhu Ru‐Ren Xu Wen‐Qin Pang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(3):m82-m83
The reaction of nickel(II) nitrate with terephthalic acid and 2,2′‐bipyridine in dimethylformamide solution gives the title complex, [Ni(C10H8N2)(H2O)4](C8H4O4). The NiII ion is octahedrally coordinated to one 2,2′‐bipyridine and four water molecules and does not coordinate to the terephthalate anion. Hydrogen bonds between the terephthalate anions and the [Ni(2,2′‐bipy)(H2O)4]2+ cations produce a two‐dimensional hydrogen‐bonding architecture with double sheets. 相似文献
18.
Theivanayagam C. Deivaraj Jagadese J. Vittal 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):775-776
In the title compound, [Ni(C2H3OS)2(C18H15P)2], the Ni atom lies on an inversion centre and the triphenyl phosphine and thioacetate ligands are bonded to the central NiII atom in a trans fashion, with Ni—S = 2.2020 (8) and Ni—P = 2.2528 (8) Å, and angle S—Ni—P = 92.47 (3)°. 相似文献
19.
Pandian Sasikumar Packianathan Thomas Muthiah 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(2):m48-m50
In the title compound, [U(C9H4INO4S)O2(H2O)3]·2H2O, the asymmetric unit contains a UO22+ ion coordinated by the N and O atoms of a 7‐iodo‐8‐oxidoquinoline‐5‐sulfonate dianion (ferron anion) and three coordinated water molecules, and two uncoordinated water molecules. The UO22+ ion exhibits a seven‐coordinate pentagonal bipyramidal geometry. The usual sulfonate oxygen coordination is absent but the sulfonate O atoms, along with the coordinated and lattice water molecules, play a vital role in assembling the three‐dimensional structure via an extensive network of intermolecular O—H...O hydrogen bonds and π–π stacking interactions. 相似文献
20.
Tomoka Yamaguchi Yukinari Sunatsuki Hiroyuki Ishida 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):m156-m160
In the crystal structures of both title compounds, [1,3‐bis(2‐hydroxybenzylidene)‐2‐methyl‐2‐(2‐oxidobenzylideneaminomethyl)propane‐1,3‐diamine]nickel(II) [2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methyl‐1,3‐bis(2‐oxidobenzylidene)propane‐1,3‐diamine]nickel(II) chloride methanol disolvate, [Ni(C26H25.5N3O3)]2Cl·2CH4O, and [1,3‐bis(2‐hydroxybenzylidene)‐2‐methyl‐2‐(2‐oxidobenzylideneaminomethyl)propane‐1,3‐diamine]zinc(II) perchlorate [2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methyl‐1,3‐bis(2‐oxidobenzylidene)propane‐1,3‐diamine]zinc(II) methanol trisolvate, [Zn(C26H25N3O3)]ClO4·[Zn(C26H26N3O3)]·3CH4O, the 3d metal ion is in an approximately octahedral environment composed of three facially coordinated imine N atoms and three phenol O atoms. The two mononuclear units are linked by three phenol–phenolate O—H...O hydrogen bonds to form a dimeric structure. In the Ni compound, the asymmetric unit consists of one mononuclear unit, one‐half of a chloride anion and a methanol solvent molecule. In the O—H...O hydrogen bonds, two H atoms are located near the centre of O...O and one H atom is disordered over two positions. The NiII compound is thus formulated as [Ni(H1.5L)]2Cl·2CH3OH [H3L is 1,3‐bis(2‐hydroxybenzylidene)‐2‐(2‐hydroxybenzylideneaminomethyl)‐2‐methylpropane‐1,3‐diamine]. In the analogous ZnII compound, the asymmetric unit consists of two crystallographically independent mononuclear units, one perchlorate anion and three methanol solvent molecules. The mode of hydrogen bonding connecting the two mononuclear units is slightly different, and the formula can be written as [Zn(H2L)]ClO4·[Zn(HL)]·3CH3OH. In both compounds, each mononuclear unit is chiral with either a Δ or a Λ configuration because of the screw coordination arrangement of the achiral tripodal ligand around the 3d metal ion. In the dimeric structure, molecules with Δ–Δ and Λ–Λ pairs co‐exist in the crystal structure to form a racemic crystal. A notable difference is observed between the M—O(phenol) and M—O(phenolate) bond lengths, the former being longer than the latter. In addition, as the ionic radius of the metal ion decreases, the M—O and M—N bond distances decrease. 相似文献