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1.
In this paper, we have illustrated the utilisation of a second-sphere coordination approach to construct supramolecular inclusion solids with varieties of guest molecules. A flexible molecule N,N,N′,N′-tetra-p-methylbenzyl-ethylenediamine (L1) bearing doubly protonated H-bond donors was designed, capable of forming N–H…Cl hydrogen bonds with a crystallographically unique chloride anion, to construct an anion-directed ligand. The pillared double-layered host framework was constructed by an anion-directed ligand and primary coordination sphere [CoCl4]2 ? through weak C–H…Cl hydrogen-bonding interactions. A variety of guest molecules, such as p-anisaldehyde, 1,4-dimethoxy-2,5-bis(methoxymethyl)benzene, can be included, leading to the formation of novel supramolecular inclusion solids: [L1]·4[H]+·[CoCl4]2 ? ·2Cl? ·1.5[C8H8O2]·0.25[CH3OH] (1) and [L1]·4[H]+·[CoCl4]2 ? ·2Cl? ·1.5[C12H20O4]·0.5[CH3OH] (2). We have presented herein the utilisation of a second-sphere coordination approach to construct supramolecular inclusion solids with a variety of guest molecules. A novel type of a pillared double-layered host framework was constructed by a second-sphere coordination between the anion-directed ligand (L1 = N,N,N′,N′-tetra-p-methylbenzyl-ethylenediamine) and [CoCl4]2 ? through weak C–H…Cl hydrogen-bonding interaction, and a variety of guest molecules, such as p-anisaldehyde, 1,4-dimethoxy-2,5-bis(methoxymethyl)benzene, can be included, leading to the formation of supramolecular inclusion solids: [L1]·4[H]+·[CoCl4]2 ? ·2Cl? ·1.5[C8H8O2]·0.25[CH3OH] (1) and [L1]·4[H]+·[CoCl4]2 ? ·2Cl? ·1.5[C12H20O4]·0.5[CH3OH] (2) 相似文献
2.
Marina Telzhensky Menahem Kaftory 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(7):o314-o320
The structures of six crystalline inclusion compounds between various host molecules and three guest molecules based on the 2‐pyridone skeleton are described. The six compounds are 1,1′‐biphenyl‐2,2′‐dicarboxylic acid–2‐pyridone (1/2), C14H10O4·2C5H5NO, (I–a), 1,1′‐biphenyl‐2,2′‐dicarboxylic acid–4‐methyl‐2‐pyridone (1/2), C14H10O4·2C6H7NO, (I–c), 1,1′‐biphenyl‐2,2′‐dicarboxylic acid–6‐methyl‐2‐pyridone (1/2), C14H10O4·2C6H7NO, (I–d), 1,1,6,6‐tetraphenyl‐2,4‐hexadiyne‐1,6‐diol–1‐methyl‐2‐pyridone (1/2), C30H22O2·2C6H7NO, (II–b), 1,1,6,6‐tetraphenyl‐2,4‐hexadiyne‐1,6‐diol–4‐methy‐2‐pyridone (1/2), C30H22O2·2C6H7NO, (II–c), and 4,4′,4′′‐(ethane‐1,1,1‐triyl)triphenol–6‐methyl‐2‐pyridone–water (1/3/1), C20H18O3·3C6H7NO·H2O, (III–d). In two of the compounds, (I–a) and (I–d), the host molecules lie about crystallographic twofold axes. In two other compounds, (II–b) and (II–c), the host molecules lie across inversion centers. In all cases, the guest molecules are hydrogen bonded to the host molecules through O—H...O=C hydrogen bonds [the range of O...O distances is 2.543 (2)–2.843 (2) Å. The pyridone moieties form dimers through N—H...O=C hydrogen bonds in five of the compounds [the range of N...O distances is 2.763 (2)–2.968 (2) Å]. In four compounds, (I–a), (I–c), (I–d) and (II–c), the molecules are arranged in extended zigzag chains formed via host–guest hydrogen bonding. In five of the compounds, the guest molecules are arranged in parallel pairs on top of each other, related by inversion centers. However, none of these compounds underwent photodimerization in the solid state upon irradiation. In one of the crystalline compounds, (III–d), the guest molecules are arranged in stacks with one disordered molecule. The unsuccessful dimerization is attributed to the large interatomic distances between the potentially reactive atoms [the range of distances is 4.027 (4)–4.865 (4) Å] and to the bad overlap, expressed by the lateral shift between the orbitals of these atoms [the range of the shifts from perfect overlap is 1.727 (4)–3.324 (4) Å]. The bad overlap and large distances between potentially photoreactive atoms are attributed to the hydrogen‐bonding schemes, because the interactions involved in hydrogen bonding are stronger than those in π–π interactions. 相似文献
3.
The double cyanides of nickel and platinum form structures capable of enclosing also phenol, for example, as guest molecule. Such clathrates are Ni(NH3)2Pt(CN)4 2 C6H5OH and Ni(en)2Pt(CN)4 · 0.14 C6H5OH. In the case of the tetracyano complexes, different thermal stabilities of their clathrate compounds could be achieved by alteration of the constituents of the cage structure and also of the guest molecules. According to the thermal behaviour, the clathrates may be divided into two groups: those which release the guest molecules in the first step of thermal decomposition (Ni(NH3)2Pt(CN)4· 2 C6H5OH), and those which lose the guest component only after partial destruction of the host cage (Ni(en)2Pt(CN)4 · 0.14 C6H5OH). The temperature ranges of loss of the guest component may determine the interval for their use in sorptive experiments. The temperature range for release of phenol from Ni(NH3)2Pt(CN)4 · · 2 C6H5OH is 55–244°, and from Ni(en)2Pt(CN)4 · 0.14 C6H5OH is 139–284°. The model host molecules NiPt(CN)4 · 6 H2O and Ni(en)3Pt(CN)4 · 3 H2O were also studied by thermal analysis. 相似文献
4.
Two different hydrogen-bonded inclusion compounds, [2,4,6-C5H2N(COO?)3]0.5·[C(NH2) 3 + ]0.5·[(C2H5)4N+]·2H2O (1) and [2,4,6-C5H2N(COO?)3]·[C(NH2) 3 + ]·[(C2H5)4N+]·[(C3H7)4N+]·6H2O (2) are reported in this paper, in which 2,4,6-pyridine-tricarboxylic anions, guanidiniums and water molecules jointly construct host lattices while tetraalkylammonium cations are accommodated as guest species. Both two compounds formed sandwich-like hydrogen-bond inclusion compounds. In compound 1, the dimers composed of 2,4,6-pyridine-tricarboxylic anions and guanidiniums form 2D hydrogen-bonded layers by connecting with water molecules. In compound 2, 2,4,6-pyridine-tricarboxylic anions, guanidiniums and water molecules contribute to generate an undulate rosette hydrogen-bonded architecture. Interestingly, in compound 2, there are two species of guest molecules, tetraethylammonium and tetrapropylammonium, which are alternately arranged between the neighboring layers. Mixed guest cations accommodated in hydrogen-bonded inclusion compounds are seldom seen. 相似文献
5.
Bethany I. Harriss Claire Wilson Ivana Radosavljevic Evans 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(8):758-763
Structural studies have been carried out of two solid forms of niclosamide [5‐chloro‐N‐(2‐chloro‐4‐nitrophenyl)‐2‐hydroxybenzamide, NCL], a widely used anthelmintic drug, namely niclosamide methanol monosolvate, C13H8Cl2N2O4·CH3OH or NCL·MeOH, and niclosamide monohydrate, denoted HA. The structure of the methanol solvate obtained from single‐crystal X‐ray diffraction is reported for the first time, elucidating the key host–guest hydrogen‐bonding interactions which lead to solvate formation. The essentially planar NCL host molecules interact viaπ‐stacking and pack in a herringbone‐type arrangement, giving rise to channels along the crystallographic a axis in which the methanol guest molecules are located. The methanol and NCL molecules interact via short O—H...O hydrogen bonds. Laboratory powder X‐ray diffraction (PXRD) measurements reveal that the initially phase‐pure NCL·MeOH solvate readily transforms into NCL monohydrate within hours under ambient conditions. PXRD further suggests that the NCL monohydrate, HA, is isostructural with the NCL·MeOH solvate. This is consistent with the facile transformation of the methanol solvate into the hydrate when stored in air. The crystal packing and the topology of guest‐molecule inclusion are compared with those of other NCL solvates for which the crystal structures are known, giving a consistent picture which correlates well with known experimentally observed desolvation properties. 相似文献
6.
Three cucurbit[6]uril (CB[6])-based polyrotaxanes [Cu(H2 C6N4)(CB[6])]Cl4·12H2O (1), [Co(H2 C6N4)(CB[6])]Cl4·14H2O (2) and [Ag(C6N4)(CB[6])]NO3·7H2O (3) are prepared using N,N′-bis(4-pyridylmethyl)-1,6-hexanediamine (C6N4) threading into CB[6]'s and metal ions' assistance. Single-crystal X-ray diffraction analyses reveal that polyrotaxanes 1, 2 and 3 all have 1D chain structure where 1 and 2 are linear and 3 has two shapes, linear and sawtooth, respectively. The effects of guest molecules, metal and counter ions as well as intermolecular weak interactions on the architectures of polyrotaxanes are discussed. 相似文献
7.
Yunxia Yang Lihua Li Li Zhang Wenjing Dong Keying Ding 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(12):981-989
Polymorphism is the ability of a solid material to exist in more than one form or crystal structure and this is of interest in the fields of crystal engineering and solid‐state chemistry. 2,2′‐(Disulfanediyl)dibenzoic acid (also called 2,2′‐dithiosalicylic acid, DTSA) is able to form different hydrogen bonds using its carboxyl groups. The central bridging S atoms allow the two terminal arene rings to rotate freely to generate various hydrogen‐bonded linking modes. DTSA can act as a potential host molecule with suitable guest molecules to develop new inclusion compounds. We report here the crystal structures of three new polymorphs of the inclusion compound of DTSA and trimethylamine, namely trimethylazanium 2‐[(2‐carboxyphenyl)disulfanyl]benzoate 2,2′‐(disulfanediyl)dibenzoic acid monosolvate, C3H10N+·C14H9O4S2−·C14H10O4S2, (1), tetrakis(trimethylazanium) bis{2‐[(2‐carboxyphenyl)disulfanyl]benzoate} 2,2′‐(disulfanediyl)dibenzoate 2,2′‐(disulfanediyl)dibenzoic acid monosolvate, 4C3H10N+·2C14H9O4S2−·C14H8O4S22−·C14H10O4S2, (2), and trimethylazanium 2‐[(2‐carboxyphenyl)disulfanyl]benzoate, C3H10N+·C14H9O4S2−, (3). In the three polymorphs, DTSA utilizes its carboxyl groups to form conventional O—H…O hydrogen bonds to generate different host lattices. The central N atoms of the guest amine molecules accept H atoms from DTSA molecules to give the corresponding cations, which act as counter‐ions to produce the stable crystal structures via N—H…O hydrogen bonding between the host acid and the guest molecule. It is noticeable that although these three compounds are composed of the same components, the final crystal structures are totally different due to the various configurations of the host acid, the number of guest molecules and the inducer (i.e. ancillary experimental acid). 相似文献
8.
Fischer Conrad Lin Guisheng Bombicz Petra Seichter Wilhelm Weber Edwin 《Structural chemistry》2011,22(2):433-439
Three solvate crystal structures of the laterally ethyl substituted tetra-tert-butyltetramethoxycalix[4]arene 1 [(1·THF (1a), 1·CHCl3 (1b) and 1·CH2Cl2 (1c)] are compared to the corresponding solvent-free structure (1) using single crystal X-ray structure determination, isostructurality and molecular isometricity calculations. To study the
effect of the lateral substitution, the laterally non-substituted host with the guest THF (2a) is also included to the comparison. The calixarene molecules in the different structures all adopt the partial cone conformation with different affection of the respective guest molecules, always being positioned interstitially. Depending
on the lateral substitution and the size of the included guests, the molecular conformation of the calix[4]arene shows small
differences relating to the alignment of the arene units. The channels disposable of the solvent guest molecules in the crystal
structures straighten as the effect of lateral substitution of the host calix[4]arene. The orthorhombic crystal structures
of 1a–c are isostructural irrespective of the included solvent molecules, while 1 and 2a crystallise in the same monoclinic space group. 相似文献
9.
Abstract Two inclusion compounds of the 11-[bis(p‐chlorophenyl)hydroxymethyl]-9,10-dihydro-9,10-ethanoanthracene host (1) have been studied by X-ray diffraction in order to find an explanation of the exceptional clathrate formation ability of the present chloro-containing host as compared with that of closely related chlorine-free host analogues. Crystal data: 1·ethyl acetate (2:1), C27H22OCl2·½(C4H8O2), Mw = 501.45, P21/c, a = 8.9060(5), b = 11.1109(6), c = 25.642(1) Å, β = 99.03(1)°, Z = 4, R = 0.047 for 2029 F values with I>2σ(I); 1·cyclohexylamine (1:2), 2[C29H22OCI2·2(C6H13N)], Mw = 1311.50, Pc, a = 12.144(2), b = 12.689(3), c =23.119(8) Å, β = 91.68(1)°, Z = 2, R = 0.054 for 3073 F values with I>2σ(I). Although the two solid inclusion compounds differ in host‐guest stoichiometry, space group symmetry and also in host‐guest recognition mode, both co-crystals are held together by numerous C?H…X (X = O, N or Cl) interactions, in which the chloro-substituents of 1 play a very active role. The observed frequent participation of chlorine in intermolecular interactions in these compounds suggests an ability of the (C?)Cl substituents to effectively enhance the crystal formation in the absence of more dominant forces. 相似文献
10.
Inclusion compounds were formed with 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol (H) and carbon tetrachloride, chloroform, dichloromethane and acetonitrile. 1 (H·1/2CCl4), 2 (H·1/2CHCl3) and 3 (H·1/2CH2Cl2) are true clathrates with the guest molecules situated in cages created by the host. 4 (H·2CH3CN) exhibits a different packing arrangement with the guest molecules located in channels. The crystal structures and stability of these inclusion compounds were investigated. 相似文献
11.
《Journal of Coordination Chemistry》2012,65(7):1254-1264
Two fluorinated gallium phosphates templated by organic amines, (C4H15N3)[Ga3F2(PO4)3] (1) and [(C2H10N2)(C2H9N2)][Ga3F4(HPO4)4] (2), have been synthesized under hydrothermal and solvothermal conditions, respectively. The compounds were characterized by elemental analyses, FT-IR spectroscopy, and powder X-ray diffraction. Their crystal structures were determined from single-crystal X-ray diffraction. The crystal structure of 1 has a 3-D framework with 10-membered ring channels along the b-axis. The crystal structure of 2 is an infinite 1-D chain structure, further forming a 3-D supramolecular structure with pseudo 10-membered ring channels along the a-axis through O–H?···?O hydrogen bonds. The protonated organic amine cations are located in the inorganic channel and interact with the polyanion framework both electrostatically and via N–H?···?O and N–H?···?F hydrogen bonds. 相似文献
12.
《Journal of Coordination Chemistry》2012,65(7):727-734
The reaction products of Cu(II) 2-chlorobenzoate and imidazole (1), and of Cu(II) 2,3-dichlorobenzoate and imidazole (2) formulated as CuL'2·3imd and CuL"·3imd (L' = C7H4ClO2, L" = C7H4Cl2O2 ?, imd = imidazole), were prepared and characterized by means of structural and spectroscopic measurements and thermochemical properties. The blue (1) and green (2) compounds crystallize in the monoclinic system with space group C2/c, cell parameters a = 20.753(4), b = 8.414(2), c = 14.429(3) Å, β = 90.15(3)°, V = 2519.5(9) Åsup3;, Z = 4 for (1) and a = 21.335(4), b = 8.417(2), c = 15.030(3) Å, β = 94.11(3)°, V = 2692.1(10) Åsup3;, Z = 4 for (2). The complexes decompose at 483 K. 相似文献
13.
Two inclusion compounds of dithiobiurea and tetrapropylammonium and tetrabutylammonium are characterized and reported, namely tetrapropylammonium carbamothioyl(carbamothioylamino)azanide, C12H28N+·C2H5N4S2−, (1), and tetrabutylammonium carbamothioyl(carbamothioylamino)azanide, C16H36N+·C2H5N4S2−, (2). The results show that in (1), the dithiobiurea anion forms a dimer via N—H...N hydrogen bonds and the dimers are connected into wide hydrogen‐bonded ribbons. The guest tetrapropylammonium cation changes its character to become the host molecule, generating pseudo‐channels containing the aforementioned ribbons by C—H...S contacts, yielding the three‐dimensional network structure. In comparison, in (2), the dithiobiurea anions are linked via N—H...S interactions, producing one‐dimensional chains which pack to generate two‐dimensional hydrogen‐bonded layers. These layers accommodate the guest tetrabutylammonium cations, resulting in a sandwich‐like layer structure with host–guest C—H...S contacts. 相似文献
14.
《Journal of Coordination Chemistry》2012,65(1-4):107-117
Abstract As part of a study involving design of new organometallic hosts, Pd2(dpm)2Cl2 5 was reacted with 4-isocyanoacetophenone 6 to produce the organometallic insertion product 7. This forms an unstable ternary inclusion compound (7)·(chloroform)·(dimethyl sulfoxide) whose X-ray crystal structure [C59H51Cl2NOP4Pd2·CHCl3·C2H6OS, P212121, a = 14.734(2), b = 15.782(2), c = 26.682(4) Å, Z = 4, R = 0.043] was determined. The host phenyl groups intermesh producing a helical arrangement of molecules of 7 generated by a 21 screw axis. Chloroform guests form a second helix intertwining that of the organometallic host through involvement in C = O…H-CCl3 hydrogen bonds. The dimethyl sulfoxide guests exhibit no significant short intermolecular contacts. 相似文献
15.
《Journal of Coordination Chemistry》2012,65(11):1885-1893
The reaction of Co(NO3)2?·?6H2O with a tripodal ligand leads to a new complex {[Co(L)]?·?2NO3?·?8H2O} (1) confirmed by single-crystal X-ray diffraction, infrared spectroscopy, and elemental analysis. The particular interest of 1 is in the formation of a 1-D water tape consisting of (H2O)16 cluster units, the neighboring water tapes are connected by free nitrate anions via hydrogen bonds into a 2-D guest layer. These guest layers are alternately packed face-to-face with the 2-D host layers along the a-axis to form a 3-D supramolecular architecture. There exist C–H?···?N and C–H?···?O weak hydrogen bonds between the guest layer and host layer. These weak hydrogen bonds and water–nitrate, water–water hydrogen bonds are important for the stability of the overall structure. 相似文献
16.
Jari T. Kovalainen Elina Wegelius Johannes A. M. Christiaans Juhani Huuskonen Jukka Gynther 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):e216-e217
(Cyclohexylmethyloxymethyl)(1H‐imidazol‐4‐iomethyl)‐(S)‐ammonium dichloride, C13H25N3O+·2Cl?, and (4‐bromobenzyl)(1H‐imidazol‐4‐iomethyl)‐(S)‐ammonium dichloride, C13H18BrN3O+·2Cl?, are model compounds with different biological activities for evaluation of the histamine H3‐receptor activation mechanism. Both title compounds occur in almost similar extended conformations. 相似文献
17.
Three chiral complexes: [M((R, R)-et-pybox)Cl2] (M=Zn, 1, and Mn, 2) and [Ni((R, R)-et-pybox)(H2O)2Cl]Cl (3) ((R, R)-et-pybox is C2-symmetric 2,6-bis[4′-(R)-ethoxyoxazolin-2′-yl]pyridine) have been synthesized and characterized by elemental analysis, IR, UV, TG and single-crystal
X-ray diffraction. Single-crystal X-ray diffraction analyses show that 1 is isostructural to 2, the obtained complexes are of isolated mononuclear and the metal atoms of 1 and 2 have distorted trigonal bipyramidal coordination environment. A feature of interest is noted in the unit cell of 3, there exist two types of molecules, which similarly have a distorted octahedral geometry but only slightly differ in the
orientation of the coordinated atoms to the central Ni atom. These two types of molecules interact with each other by O–H···Cl
hydrogen bonds, giving rise to one-dimensional ribbon structure. 相似文献
18.
T. V. Mitkina D. Yu. Naumov N. V. Kurat’eva O. A. Gerasko V. P. Fedin 《Russian Chemical Bulletin》2006,55(1):26-35
Inclusion compounds of the macrocyclic cavitand cucurbit[8]uril (CB[8]) with the nickel(II) complex, {trans-[Ni(en)2(H2O)2]@CB[8]}Cl2 · 23.5H2O, the copper(II) complex, {2[Cu(dien)(bipy)(H2O)]@CB[8]}(ClO4)4 · 11H2O, and the organic molecules, 2(pyCN)@CB[8]} · 16H2O and {2(bpe)@CB[8]} · 17H2O, where bipy is 4,4′-bipyridyl, pyCN is 4-cyanopyridine, and bpe is trans-1,2-bis(4-pyridyl)ethylene, were synthesized. The inclusion compounds with organic molecules were synthesized starting from
inclusion compounds of cucurbit[8]uril with cyclam and ethylenediamine complexes of copper(II) and nickel(II) by the guest exchange method, which is based on the replacement of one guest with another in the cavity of the cavitand
The resulting compounds were characterized by X-ray diffraction, ESR, 1H NMR, IR, and electronic absorption spectroscopy, and electrospray mass spectrometry. Photochemically induced [2+2]-cycloaddition
of two 1,2-bis(4-pyridyl)ethylene molecules included in cucurbit[8]uril was studied.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 25–34, January, 2006. 相似文献
19.
《Journal of Coordination Chemistry》2012,65(15):1309-1319
Three Keggin-type polyoxometalates functionalized by amino acids, (C5H13N2O2)2(H3O)PMo12O40·8H2O 1, (C5H14N2O2)2SiMo12O40·12H2O 2 and (C5H14N2O2)2GeMo12O40·12H2O 3, were synthesized and characterized by elemental analysis, IR and 1H?NMR spectra and single-crystal X-ray diffraction. The X-ray crystallographic study showed that the structures of the three compounds involved N–H···O and O–H···O hydrogen bonds among the protonated ornithine cations, water molecules and the heteropolyanion cluster, and thus represent a model interaction between polyoxometalates and proteins. These complexes display inhibitory actions to the human cancer cells Hela and PC-3?m in vitro. 相似文献
20.
Jia Wang Tianchao You Teng Wang Qikui Liu Jianping Ma Guoxia Jin 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(6):806-811
The adsorption behaviour of the CdII–MOF {[Cd(L)2(ClO4)2]·H2O ( 1 ), where L is 4‐amino‐3,5‐bis[3‐(pyridin‐4‐yl)phenyl]‐1,2,4‐triazole, for butan‐2‐one was investigated in a single‐crystal‐to‐single‐crystal (SCSC) fashion. A new host–guest system that encapsulated butan‐2‐one molecules, namely poly[[bis{μ3‐4‐amino‐3,5‐bis[3‐(pyridin‐4‐yl)phenyl]‐1,2,4‐triazole}cadmium(II)] bis(perchlorate) butanone sesquisolvate], {[Cd(C24H18N6)2](ClO4)2·1.5C4H8O}n, denoted C4H8O@Cd‐MOF ( 2 ), was obtained via an SCSC transformation. MOF 2 crystallizes in the tetragonal space group P43212. The specific binding sites for butan‐2‐one in the host were determined by single‐crystal X‐ray diffraction studies. N—H…O and C—H…O hydrogen‐bonding interactions and C—H…π interactions between the framework, ClO4? anions and guest molecules co‐operatively bind 1.5 butan‐2‐one molecules within the channels. The adsorption behaviour was further evidenced by 1H NMR, IR, TGA and powder X‐ray diffraction experiments, which are consistent with the single‐crystal X‐ray analysis. A 1H NMR experiment demonstrates that the supramolecular interactions between the framework, ClO4? anions and guest molecules in MOF 2 lead to a high butan‐2‐one uptake in the channel. 相似文献