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1.
Sujittra Youngme Jaturong Phatchimkun Samran Prabpai Chaveng Pakawatchai Palangpon Kongsaeree 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(2):m45-m47
The two new title complexes, [Cu(N3)(dpyam)2]PF6 (dpyam is di‐2‐pyridylamine, C10H11N3), (I), and [Cu(N3)(dpyam)2]Cl·4H2O, (II), respectively, have been characterized by single‐crystal X‐ray diffraction. Both complexes display a distorted square‐pyramidal geometry. Each Cu atom is coordinated in the basal plane by three dpyam N atoms and one azide N atom in equatorial positions, and by another N atom from the dpyam group in the apical position. In complex (I), the one‐dimensional supramolecular architecture is assembled via hydrogen‐bonding interactions between the amine N atom and terminal azide N atoms and the F atoms of the PF6− anion. For complex (II), hydrogen‐bonding interactions between the amine N atom, the Cl− anion and water O atoms result in a two‐dimensional lattice. 相似文献
2.
Tomoko Harada Satoko Wada Hidetaka Yuge Takeshi Ken Miyamoto 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m37-m39
In the two ruthenium(II)–porphyrin–carbene complexes (dibenzoylcarbenyl‐κC)(pyridine‐κN)(5,10,15,20‐tetra‐p‐tolylporphyrinato‐κ4N)ruthenium(II), [Ru(C15H10O2)(C5H5N)(C48H36N4)], (I), and (pyridine‐κN)(5,10,15,20‐tetra‐p‐tolylporphyrinato‐κ4N)[bis(3‐trifluoromethylphenyl)carbenyl‐κC]ruthenium(II), [Ru(C15H8F6)(C5H5N)(C48H36N4)], (II), the pyridine ligand coordinates to the octahedral Ru atom trans with respect to the carbene ligand. The C(carbene)—Ru—N(pyridine) bonds in (I) coincide with a crystallographic twofold axis. The Ru—C bond lengths of 1.877 (8) and 1.868 (3) Å in (I) and (II), respectively, are slightly longer than those of other ruthenium(II)–porphyrin–carbene complexes, owing to the trans influence of the pyridine ligands. 相似文献
3.
Hai Shang Ai‐Xia Zheng Dong Liu Zhi‐Gang Ren Jian‐Ping Lang 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(7):m237-m240
The structure of catena‐poly[[{bis[4‐(trimethylammonio)benzenethiolate‐κS]mercury(II)}‐μ‐1,1′‐(ethane‐1,2‐diyl)bis(1H‐benzimidazole)‐κ2N3:N3′] bis(hexafluoridophosphate) 0.25‐hydrate], {[Hg(C16H14N4)(C9H13NS)2](PF6)2·0.25H2O}n, contains a one‐dimensional zigzag chain. The HgII cation is coordinated by two S atoms of two 4‐(trimethylammonio)benzenethiolate (Tab) ligands and by two N atoms from two different 1,1′‐(ethane‐1,2‐diyl)bis(1H‐benzimidazole) ligands, forming a distorted seesaw‐shaped coordination geometry. The F atoms of the hexafluoridophosphate anion interact with the H atoms of the Tab ligand, generating a two‐dimensional network. Furthermore, this layer is connected to neighbouring layers via H...π interactions, thereby forming a three‐dimensional hydrogen‐bonded structure. In catena‐poly[[{[4‐(trimethylammonio)benzenethiolate‐κS]mercury(II)}bis[μ‐4‐(trimethylammonio)benzenethiolate‐κ2S:S]{[4‐(trimethylammonio)benzenethiolate‐κS]mercury(II)}‐μ‐1,1′‐(hexane‐1,6‐diyl)bis(1H‐benzimidazole)‐κ2N3:N3′] tetrakis(hexafluoridophosphate)], {[Hg2(C20H22N4)(C9H13NS)4](PF6)4}n, each HgII cation is coordinated by two S atoms of two Tab ligands and one N atom of the 1,1′‐(hexane‐1,6‐diyl)bis(1H‐benzimidazole) (hbbm) ligand, forming a distorted T‐shaped coordination geometry, while longer secondary Hg...S bonds join two such units across a centre of inversion to give the tetravalent cation. Adjacent {[Hg(Tab)2]2(μ‐hbbm)}4+ cations are linked through the centrosymmetric hbbm ligands to afford a one‐dimensional chain extending along the b axis. Several F atoms interact with the H atoms of the Tab and hbbm ligands, while the S atom interacts with an aromatic H atom of a different Tab ligand, to afford a complex intra‐ and intermolecular hydrogen‐bonding arrangement in a three‐dimensional structure. 相似文献
4.
Satish Shantaram Bhat Naveen Shivalingegowda Vidyanand Krishna Revankar Vitthal Ajinath Kawade Ray J. Butcher Neratur Krishnappagowda Lokanath 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(5):496-503
Two one‐dimensional (1D) coordination polymers (CPs), namely catena‐poly[[[aqua(2,2′‐bipyridine‐κ2N,N′)(nitrato‐κO)copper(II)]‐μ‐1,3‐bis(pyridin‐4‐yl)propane‐κ2N:N′] nitrate], {[Cu(NO3)(C10H8N2)(C13H14N2)(H2O)]·NO3}n ( 1 ), and catena‐poly[[[aqua(nitrato‐κO)(1,10‐phenanthroline‐κ2N,N′)copper(II)]‐μ‐1,3‐bis(pyridin‐4‐yl)propane‐κ2N:N′] nitrate], {[Cu(NO3)(C12H8N2)(C13H14N2)(H2O)]·NO3}n ( 2 ), have been synthesized using [Cu(NO3)(NN)(H2O)2]NO3, where NN = 2,2′‐bipyridine (bpy) or 1,10‐phenanthroline (phen), as a linker in a 1:1 molar ratio. The CPs were characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis and single‐crystal X‐ray structure determination. The 1,3‐bis(pyridin‐4‐yl)propane (dpp) ligand acts as a bridging ligand, leading to the formation of a 1D polymer. The octahedral coordination sphere around copper consists of two N atoms from bpy for 1 or phen for 2 , two N atoms from dpp, one O atom from water and one O atom from a coordinated nitrate anion. Each structure contains two crystallographically independent chains in the asymmetric unit and the chains are linked via hydrogen bonds into a three‐dimensional network. 相似文献
5.
M. Teresa Duarte M. Ftima M. Piedade M. Paula Robalo Antnio P. S. Teixeira M. Helena Garcia 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):m386-m389
The title compound, (η5‐cyclopentadienyl)(4‐nitrobenzonitrile‐κN)(trimethylphosphine‐κP)(triphenylphosphite‐κP)iron(II) hexafluorophosphate, [Fe(C5H5)(C7H4N2O2)(C18H15O3P)(C3H9P)]PF6, has been characterized by spectroscopic and X‐ray diffraction in order to evaluate the tuning of the electron density at the metal centre and the extension of the π delocalization on the molecule due to the presence of phosphite and phosphine co‐ligands. The compound crystallizes in the centrosymmetric space group P21/c, which destroys the possibility of exhibiting any quadratic non‐linear optical properties. The packing shows a supramolecular zigzag chain of antiparallel cations connected via the PF6− anions through C—H⋯Fδ− interactions, with H⋯F distances ranging from 2.39 to 2.67 Å. Each zigzag chain is composed of isomeric organometallic fragments containing either R or S molecules. These chains are connected through weak intermolecular C—H⋯C interactions, forming a two‐dimensional plane parallel to (101). 相似文献
6.
Kaijie Xu Mingwei Hong Yicheng Zhang Li Song Wenxiang Chai 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(9):858-861
In the title heteroleptic cuprous complex, (acetonitrile‐κN)({2‐[2‐(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane‐κ2P,P′)[2‐(pyridin‐4‐yl‐κN)‐1,3‐benzoxazole]copper(I) hexafluoridophosphate, [Cu(C36H28OP2)(CH3CN)(C12H8N2O)]PF6, conventionally abbreviated [Cu(POP)(CH3CN)(4‐PBO)]PF6, where POP is the diphosphane ligand {2‐[2‐(diphenylphosphanyl)phenoxy]phenyl}diphenylphosphane and 4‐PBO is the N‐containing ligand 2‐(pyridin‐4‐yl)‐1,3‐benzoxazole, the asymmetric unit consists of a hexafluoridophosphate anion and a whole mononuclear cation, where the CuI centre is coordinated by two P atoms from the POP ligand, by one N atom from the 4‐PBO ligand and by the N atom of the coordinated acetonitrile molecule, giving rise to a CuP2N2 distorted tetrahedral coordination geometry. The electronic absorption, photoluminescence and thermal stability properties of this complex have been studied on as‐synthesized samples, which had previously been examined by powder X‐ray diffraction. A yellow emission signal is attributed to an excited state arising from metal‐to‐ligand charge transfer (MLCT). 相似文献
7.
Jessica L. Wallick Charles G. Riordan Glenn P. A. Yap 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(7):640-643
Although there are many examples of acetate complexes, acetamide complexes are virtually unknown. A side‐by‐side comparison in (acetato‐κ2O,O′)(1,4,7,10‐tetramethyl‐1,4,7,10‐tetraazacyclododecane‐κ4N)nickel(II) hexafluoridophosphate, [Ni(C2H3O2)(C12H28N4)]PF6, (1), and (acetamidato‐κ2O,O′)(1,4,7,10‐tetramethyl‐1,4,7,10‐tetraazacyclododecane‐κ4N)nickel(II) hexafluoridophosphate, [Ni(C2H4NO)(C12H28N4)]PF6, (2), shows the steric equivalence between these two ligands, suggesting that acetamide could be considered as a viable acetate replacement for electronic tuning. 相似文献
8.
Jie Ma Deng‐Feng Wang Li‐Qun Fan Kang Zhou 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(11):969-974
The azide anion is a short bridging ligand that has been used extensively to construct magnetic coordination polymers, and fundamental magneto‐structural correlations have been substantiated by theoretical calculations. The copper(II) coordination polymer poly[bis(μ‐azido‐κ2N1:N1)(μ4‐homophthalato‐κ4O:O′:O′′:O′′′)bis(pyridine‐κN)dicopper(II)], [Cu2(C9H6O4)(N3)2(C5H5N)2]n, was synthesized from homophthalic acid (2‐carboxyphenylacetic acid), pyridine and azide (N3−) by a hydrothermal reaction. Single‐crystal structure analysis indicated that it features a one‐dimensional chain structure which is comprised of (μ1,1‐N3−)(μ‐syn–syn‐COO−)2‐ and (μ1,1‐N3−)2‐bridged tetranuclear CuII units. Magnetic measurements revealed that the compound exhibits dominant antiferromagnetic behaviour. 相似文献
9.
Roza Dimeska Jan Wikaira Garry M. Mockler Ray J. Butcher 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(5):538-544
The structures of three copper‐containing complexes, namely (benzoato‐κ2O,O′)[(E)‐2‐({[2‐(diethylamino)ethyl]imino}methyl)phenolato‐κ3N,N′,O]copper(II) dihydrate, [Cu(C7H5O2)(C13H19N2O)]·2H2O, 1 , [(E)‐2‐({[2‐(diethylamino)ethyl]imino}methyl)phenolato‐κ3N,N′,O](2‐phenylacetato‐κ2O,O′)copper(II), [Cu(C8H7O2)(C13H19N2O)], 2 , and bis[μ‐(E)‐2‐({[3‐(diethylamino)propyl]imino}methyl)phenolato]‐κ4N,N′,O:O;κ4O:N,N′,O‐(μ‐2‐methylbenzoato‐κ2O:O′)copper(II) perchlorate, [Cu2(C8H7O2)(C12H17N2O)2]ClO4, 3 , have been reported and all have been tested for their activity in the oxidation of d ‐galactose. The results suggest that, unlike the enzyme galactose oxidase, due to the precipitation of Cu2O, this reaction is not catalytic as would have been expected. The structures of 1 and 2 are monomeric, while 3 consists of a dimeric cation and a perchlorate anion [which is disordered over two orientations, with occupancies of 0.64 (4) and 0.36 (4)]. In all three structures, the central Cu atom is five‐coordinated in a distorted square‐pyramidal arrangment (τ parameter of 0.0932 for 1 , 0.0888 for 2 , and 0.142 and 0.248 for the two Cu centers in 3 ). In each species, the environment about the Cu atom is such that the vacant sixth position is open, with very little steric crowding. 相似文献
10.
Homo‐ and Heterodinuclear Ir and Rh Imine‐functionalized Protic NHC Complexes: Synthetic,Structural Studies,and Tautomerization/Metallotropism Insights
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Fan He Dr. Marcel Wesolek Dr. Andreas A. Danopoulos Dr. Pierre Braunstein 《Chemistry (Weinheim an der Bergstrasse, Germany)》2016,22(8):2658-2671
The influence of the potentially chelating imino group of imine‐functionalized Ir and Rh imidazole complexes on the formation of functionalized protic N‐heterocyclic carbene (pNHC) complexes by tautomerization/metallotropism sequences was investigated. Chloride abstraction in [Ir(cod)Cl{C3H3N2(DippN=CMe)‐κN3}] ( 1 a ) (cod=1,5‐cyclooctadiene, Dipp=2,6‐diisopropylphenyl) with TlPF6 gave [Ir(cod){C3H3N2(DippN=CMe)‐κ2(C2,Nimine)}]+[PF6]? ( 3 a +[PF6]?). Plausible mechanisms for the tautomerization of complex 1 a to 3 a +[PF6]? involving C2?H bond activation either in 1 a or in [Ir(cod){C3H3N2(DippN=CMe)‐κN3}2]+[PF6]? ( 6 a +[PF6]?) were postulated. Addition of PR3 to complex 3 a +[PF6]? afforded the eighteen‐valence‐electron complexes [Ir(cod)(PR3){C3H3N2(DippN=CMe)‐κ2(C2,Nimine)}]+[PF6]? ( 7 a +[PF6]? (R=Ph) and 7 b +[PF6]? (R=Me)). In contrast to Ir, chloride abstraction from [Rh(cod)Cl{C3H3N2(DippN=CMe)‐κN3}] ( 1 b ) at room temperature afforded [Rh(cod){C3H3N2(DippN=CMe)‐κN3}2]+[PF6]? ( 6 b +[PF6]?) and [Rh(cod){C3H3N2(DippN=CMe)‐κ2(C2,Nimine)}]+[PF6]? ( 3 b +[PF6]?) (minor); the reaction yielded exclusively the latter product in toluene at 110 °C. Double metallation of the azole ring (at both the C2 and the N3 atom) was also achieved: [Ir2(cod)2Cl{μ‐C3H2N2(DippN=CMe)‐κ2(C2,Nimine),κN3}] ( 10 ) and the heterodinuclear complex [IrRh(cod)2Cl{μ‐C3H2N2(DippN=CMe)‐κ2(C2,Nimine),κN3}] ( 12 ) were fully characterized. The structures of complexes 1 b , 3 b +[PF6]?, 6 a +[PF6]?, 7 a +[PF6]?, [Ir(cod){C3HN2(DippN=CMe)(DippN=CH)(Me)‐κ2(N3,Nimine)}]+[PF6]? ( 9 +[PF6]?), 10? Et2O ? toluene, [Ir2(CO)4Cl{μ‐C3H2N2(DippN=CMe)‐κ2(C2,Nimine),κN3}] ( 11 ), and 12? 2 THF were determined by X‐ray diffraction. 相似文献
11.
Tamami Koshiyama Masako Kato 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m446-m449
The title PtII complexes, viz. (2,2′‐bipyridine‐κ2N,N′)[(1R,2R)‐1,2‐diaminocyclohexane‐κ2N,N′]platinum(II) bis(hexafluorophosphate), [Pt(C6H14N2)(C10H8N2)](PF6)2, and [(1R,2R)‐1,2‐diaminocyclohexane‐κ2N,N′](1,10‐phenanthroline‐κ2N,N′)platinum(II) bis(hexafluorophosphate), [Pt(C6H14N2)(C12H8N2)](PF6)2, containing an aromatic α‐diimine and a non‐planar diaminocyclohexane, both form a ladder‐type structure, which is constructed via loose π–π stacking on the α‐diimine ligands and hydrogen bonding between the cyclic amines and the counter‐anions. In the former compound, there are two independent complex cations, both of which have a twofold axis through the Pt atom. 相似文献
12.
Dan-Dan Wang Jian-Teng Wang Li Song You-Yu Wang Wen-Xiang Chai 《Acta Crystallographica. Section C, Structural Chemistry》2020,76(2):177-185
Luminescent cuprous complexes are an important class of coordination compounds due to their relative abundance, low cost and ability to display excellent luminescence. The heteroleptic cuprous complex solvate rac‐(acetonitrile‐κN)(3‐aminopyridine‐κN)[2,2′‐bis(diphenylphosphanyl)‐1,1′‐binaphthyl‐κ2P,P′]copper(I) hexafluoridophosphate dichloromethane monosolvate, [Cu(C5H6N2)(C2H3N)(C44H32P2)]PF6·CH2Cl2, conventionally abbreviated as [Cu(3‐PyNH2)(CH3CN)(BINAP)]PF6·CH2Cl2, ( I ), where BINAP and 3‐PyNH2 represent 2,2′‐bis(diphenylphosphanyl)‐1,1′‐binaphthyl and 3‐aminopyridine, respectively, is described. In this complex solvate, the asymmetric unit consists of a cocrystallized dichloromethane molecule, a hexafluoridophosphate anion and a complete racemic heteroleptic cuprous complex cation in which the cuprous centre, in a tetrahedral CuP2N2 coordination, is coordinated by two P atoms from the BINAP ligand, one N atom from the 3‐PyNH2 ligand and another N atom from a coordinated acetonitrile molecule. The UV–Vis absorption and photoluminescence properties of this heteroleptic cuprous complex have been studied on polycrystalline powder samples, which had been verified by powder X‐ray diffraction before recording the spectra. Time‐dependent density functional theory (TD‐DFT) calculations and a wavefunction analysis reveal that the orange–yellow phosphorescence emission should originate from intra‐ligand (BINAP) charge transfer mixed with a little of the metal‐to‐ligand charge transfer 3(IL+ML)CT excited state. 相似文献
13.
A‐Qing Wu Li‐Zhen Cai Wen‐Tong Chen Guo‐Cong Guo Jin‐Shun Huang 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):m491-m493
The crystal structure of catena‐poly[[[acetato(1,10‐phenanthroline‐κ2N,N′)copper(II)]‐μ‐dicyanamido‐κ2N1:N5] trihydrate], {[Cu(C2H3O2)(C2N3)(C12H8N2)]·3H2O}n, consists of a zigzag chain formed by the polymer [Cu(CH3COO)(dca)(phen)]n (phen is 1,10‐phenanthroline and dca is dicyanamide), with three water molecules per repeat unit of the polymer. The CuII atom has a slightly distorted square‐pyramidal coordination environment consisting of two N atoms of the phen ligand, two nitrile N atoms of different dca ligands, one of them axial, and one O atom of the acetate anion. The compound forms a one‐dimensional chain using dca as an end‐to‐end bridging ligand. Non‐covalent interactions, π–π stacking and hydrogen bonding mediate the bundling of the polymer chains into a three‐dimensional structure, with the water molecules playing an important role in the hydrogen bonding. 相似文献
14.
Laurette Schmitt Gaël Labat Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):m343-m347
The reaction of 2,2′:6′,2′′‐terpyridine (terpy) with CuCl2 in the presence of sodium sulfite led to the synthesis of the ionic complex aquachlorido(2,2′:6′,2′′‐terpyridyl‐κ3N,N′,N′′)copper(II) chlorido(dithionato‐κO)(2,2′:6′,2′′‐terpyridyl‐κ3N,N′,N′′)cuprate(II) dihydrate, [CuCl(C15H11N3)(H2O)][CuCl(S2O6)(C15H11N3)]·2H2O, (I), and the in situ synthesis of the S2O62− dianion. Compound (I) is composed of a [CuCl(terpy)(H2O)]+ cation, a [Cu(S2O6)(terpy)]− anion and two solvent water molecules. Thermogravimetric analysis indicated the loss of two water molecules at ca 363 K, and at 433 K the weight loss indicated a total loss of 2.5 water molecules. The crystal structure analysis of the resulting pale‐green dried crystals, μ‐dithionato‐κ2O:O′‐bis[chlorido(2,2′:6′,2′′‐terpyridyl‐κ3N,N′,N′′)copper(II)] monohydrate, [Cu2Cl2(S2O6)(C15H11N3)2]·H2O, (II), revealed a net loss of 1.5 water molecules and the formation of a binuclear complex with two [CuCl(terpy)]+ cations bridged by a dithionate dianion. The crystal‐to‐crystal transformation involved an effective reduction in the unit‐cell volume of ca 7.6%. In (I), the ions are linked by O—H...O hydrogen bonds involving the coordinated and solvent water molecules and O atoms of the dithionate unit, to form ribbon‐like polymer chains propagating in [100]. These chains are linked by Cu...Cl interactions [3.2626 (7) Å in the cation and 3.3492 (7) Å in the anion] centred about inversion centres, to form two‐dimensional networks lying in and parallel to (01). In (II), symmetry‐related molecules are linked by O—H...O hydrogen bonds involving the partially occupied disordered water molecule and an O atom of the bridging thiosulfite anion, to form ribbon‐like polymer chains propagating in [100]. These chains are also linked by Cu...Cl interactions [3.3765 (12) Å] centred about inversion centres to form similar two‐dimensional networks to (I) lying in and parallel to (02), crosslinked into three dimensions by C—H...O=S and C—H...O(water) interactions. 相似文献
15.
Fan Yu 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(10):m331-m334
Two mononuclear copper complexes, {bis[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl‐κN2)methyl]amine‐κN}(3,5‐dimethyl‐1H‐pyrazole‐κN2)(perchlorato‐κO)copper(II) perchlorate, [Cu(ClO4)(C5H8N2)(C12H19N5)]ClO4, (I), and {bis[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl‐κN2)methyl]amine‐κN}bis(3,5‐dimethyl‐1H‐pyrazole‐κN2)copper(II) bis(hexafluoridophosphate), [Cu(C5H8N2)2(C12H19N5)](PF6)2, (II), have been synthesized by the reactions of different copper salts with the tripodal ligand tris[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methyl]amine (TDPA) in acetone–water solutions at room temperature. Single‐crystal X‐ray diffraction analysis revealed that they contain the new tridentate ligand bis[(3,5‐dimethyl‐1H‐pyrazol‐1‐yl)methyl]amine (BDPA), which cannot be obtained by normal organic reactions and has thus been captured in the solid state by in situ synthesis. The coordination of the CuII ion is distorted square pyramidal in (I) and distorted trigonal bipyramidal in (II). The new in situ generated tridentate BDPA ligand can act as a meridional or facial ligand during the process of coordination. The crystal structures of these two compounds are stabilized by classical hydrogen bonding as well as intricate nonclassical hydrogen‐bond interactions. 相似文献
16.
Cai‐Xia Yu Feng‐Ji Ma Lei‐Lei Liu Cong Liu 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(12):1178-1180
In catena‐poly[[aqua[1,3‐bis(pyridine‐3‐ylmethoxy)benzene‐κN]zinc(II)]‐μ2‐benzene‐1,4‐dicarboxylato‐κ2O1:O4], [Zn(C8H4O4)(C18H16N2O2)(H2O)]n, each ZnII centre is tetrahedrally coordinated by two O atoms of bridging carboxylate groups from two benzene‐1,4‐dicarboxylate anions (denoted L2−), one O atom from a water molecule and one N atom from a 1,3‐bis[(pyridin‐3‐yl)methoxy]benzene ligand (denoted bpmb). (Aqua)O—H...N hydrogen‐bonding interactions induce the formation of one‐dimensional helical [Zn(L)(bpmb)(H2O)]n chains which are interlinked through (aqua)O—H...O hydrogen‐bonding interactions, producing two‐dimensional corrugated sheets. 相似文献
17.
Stefan Haslinger Alexander Pthig Mirza Cokoja Fritz E. Kühn 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(12):1096-1099
Iron is of interest as a catalyst because of its established use in the Haber–Bosch process and because of its high abundance and low toxicity. Nitrogen‐heterocyclic carbenes (NHC) are important ligands in homogeneous catalysis and iron–NHC complexes have attracted increasing attention in recent years but still face problems in terms of stability under oxidative conditions. The structure of the iron(II) complex [1,1′‐bis(pyridin‐2‐yl)‐2,2‐bi(1H‐imidazole)‐κN3][3,3′‐bis(pyridin‐2‐yl‐κN)‐1,1′‐methanediylbi(1H‐imidazol‐2‐yl‐κC2)](trimethylphosphane‐κP)iron(II) bis(hexafluoridophosphate), [Fe(C17H14N6)(C16H12N6)(C3H9P)](PF6)2, features coordination by an organic decomposition product of a tetradentate NHC ligand in an axial position. The decomposition product, a C—C‐coupled biimidazole, is trapped by coordination to still‐intact iron(II) complexes. Insights into the structural features of the organic decomposition products might help to improve the stability of oxidation catalysts under harsh conditions. 相似文献
18.
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
19.
20.
Nikolay Golovnev Maxim Molokeev 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(7):704-708
The structures of the LiI and NaI salts of 2‐thiobarbituric acid (2‐sulfanylidene‐1‐3‐diazinane‐4,6‐dione, H2TBA) have been studied. μ‐Aqua‐octaaquabis(μ‐2‐thiobarbiturato‐κ2O:O′)bis(2‐thiobarbiturato‐κO)tetralithium(I) dihydrate, [Li4(C4H3N2O2S)4(H2O)9]·2H2O, (I), crystallizes with four symmetry‐independent four‐coordinated LiI cations and four independent HTBA− anions. The structure contains two structurally non‐equivalent LiI cations and two non‐equivalent HTBA− anions (bridging and terminal). Eight of the coordinated water ligands are terminal and the ninth acts as a bridge between LiI cations. Discrete [Li4(HTBA)4(H2O)9]·2H2O complexes form two‐dimensional layers. Neighbouring layers are connected via hydrogen‐bonding interactions, resulting in a three‐dimensional network. Poly[μ2‐aqua‐tetraaqua(μ4‐2‐thiobarbiturato‐κ4O:O:S:S)(μ2‐thiobarbiturato‐κ2O:S)disodium(I)], [Na2(C4H3N2O2S)2(H2O)5]n, (II), crystallizes with six‐coordinated NaI cations. The octahedra are pairwise connected through edge‐sharing by a water O atom and an O atom from the μ4‐HTBA− ligand, and these pairs are further top‐shared by the S atoms to form continuous chains along the a direction. Two independent HTBA− ligands integrate the chains to give a three‐dimensional network. 相似文献