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1.
Praveen K. Thallapally Gautam R. Desiraju 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):572-573
The title compound, 1,3,5‐tris(2‐cyanoethyl)‐1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trione, C12H12N6O3, forms a layered structure stabilized by C—H?O and C—H?N hydrogen bonds. 相似文献
2.
Michael G. B. Drew Michael J. Hudson Peter B. Iveson Charles Madic 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):434-435
The title compound, aquatris(nitrato)[2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine]samarium dihydrate, [Sm(NO3)3(C18H12N6)(H2O)]·2H2O, was prepared from Sm(NO3)3·6H2O and 2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine. The metal atom is ten‐coordinate being bonded to the terdentate TPTZ ligand, three bidentate nitrates and a water molecule. 相似文献
3.
Regiodirected Synthesis and Stereochemistry of 2,4,8‐Trialkyl‐3‐thia‐1,5‐diazabicyclo[3.2.1]octanes and α,ω‐Bis(2,4,6‐trialkyl‐1,3,5‐dithiazinane‐5‐yl)alkanes 下载免费PDF全文
Vnira R. Akhmetova Ruslan A. Vagapov Tat'yana V. Tyumkina Guzel R. Khabibullina Zoya A. Starikova Alexander H. Lobov Yuliya V. Nelyubina Raikhana V. Kunakova Usein M. Dzhemilev 《Journal of heterocyclic chemistry》2015,52(4):1037-1045
2,4,8‐Trialkyl‐3‐thia‐1,5‐diazabicyclo[3.2.1]octanes have been obtained by the regioselective and stereoselective cyclocondensation of 1,2‐ethanediamine with aldehydes RCHO (R═Me, Et, Prn, Bun, Pentn) and H2S at molar ratio 1:3:2 at 0°C. The increase in molar ratio of thiomethylation mixture RCHO–H2S (6:4) at 40°C resulted in selective formation of bis‐(2,4,6‐trialkyl‐1,3,5‐dithiazinane‐5‐yl)ethanes. Cyclothiomethylation of aliphatic α,ω‐diamines with aldehydes RCHO (R═Me, Et) and H2S at molar ratio 1:6:4 and at 40°С led to α,ω‐bis(2,4,6‐trialkyl‐1,3,5‐dithiazinane‐5‐yl)alkanes. Stereochemistry of 2,4,8‐trialkyl‐3‐thia‐1,5‐diazabicyclo[3.2.1]octanes have been determined by means of 1H and 13С NMR spectroscopy and further supported by DFT calculations at the B3LYP/6‐31G(d,p) level. The structure of α,ω‐bis(2,4,6‐trialkyl‐1,3,5‐dithiazinane‐5‐yl)alkanes was confirmed by single‐crystal X‐ray diffraction study. 相似文献
4.
A new triazine‐cored tricarboxylic acid, N,N′,N“‐1,3,5‐triazine‐2,4,6‐triyltris(cis‐4‐aminocyclohexane‐carboxylic acid) (H3L), has been prepared by replacing the chlorine atoms of cyanuric chloride with cis‐4‐aminocyclohexane‐carboxylic acid, which has been used for the construction of a series of triazine‐cored lanthanide‐based metal–organic frameworks (MOFs). All these MOFs were structurally authenticated, revealing that they are isostructural and exist as two‐dimensional (2D) coordination networks with the general formula [Ln(L)(H2O)2]?5.5 H2O (Ln= 1?Gd , 2?Tb , 3?Eu ). A unique one‐dimensional water chain, composed of primary tetrameric cyclic rings and dodecameric cyclic rings, has been found entrapped in the lattice. Moreover, all these compounds display bright characteristic photoluminescence. Particularly, for 1 , apart from the strong blue emission peak (Φf=20.6 %) corresponding to the intraligand transition under near‐UV excitation, the characteristic emissions of Gd3+ cation (Φf=5.0 %) were unexpectedly observed upon excitation at 273 nm. 相似文献
5.
Eleonora Freire Sergio Baggio Juan Carlos Muoz Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(4):m221-m224
Two new nickel nitrates, diaquabis(3,4,7,8‐tetramethyl‐1,10‐phenanthroline‐κ2N,N′)nickel(II) dinitrate methanol solvate, [Ni(C16H16N2)2(H2O)2](NO3)2·CH4O, (I), and triaqua[2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine‐κ3N1,N2,N6]nickel(II) dinitrate trihydrate, [Ni(C18H12N6)(H2O)3](NO3)2·3H2O, (II), are reported. In both structures, the cation is octahedrally coordinated, to two bidentate 3,4,7,8‐tetramethyl‐1,10‐phenanthroline (tmp) and two water molecules in (I), and to one tridentate 2,4,6‐tris(2‐pyridyl)‐1,3,5‐triazine (tpt) and three water molecules in (II). Both structures are stabilized by extensive hydrogen‐bonding interactions. 相似文献
6.
7.
Ivica ?ilovi Dubravka Matkovi‐alogovi Ivan Kos Mladen Biru Milena Jadrijevi‐Mladar Taka
《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o45-o47
In the crystal structures of two cyclic trihydroxamic acid derivatives containing the same substructure unit, viz. 1,3,5‐trihydroxy‐1,3,5‐triazinane‐2,4,6‐trione dihydrate, C3H3N3O6·2H2O, (I), and 1,3,5‐benzyloxy‐1,3,5‐triazinane‐2,4,6‐trione, C24H21N3O6, (II), there is no significant difference in the geometric parameters. In (I), there are 11 hydrogen bonds of the O—H⋯O type interconnecting the molecules in a three‐dimensional network, while in (II) there are only two weak C—H⋯O hydrogen bonds. The results of IR spectroscopic analysis are in good agreement with the crystallographic study. 相似文献
8.
Sergio Baggio M. Enriqueta Díaz de Vivar Ricardo Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(5):m192-m194
The title compound, [Zn(S2O3)(C18H12N6)(H2O)]·0.5H2O, contains two almost identical independent monomeric moieties composed of an octahedral Zn centre coordinated by a tridentate 2,4,6‐tri‐2‐pyridyl‐1,3,5‐triazine (tpt) ligand, one aqua ligand and an O,S‐chelating thiosulfate anion. The structure is stabilized by a solvent water molecule. Multiple strong hydrogen bonds with additional weaker π–π interactions between tpt groups define a multiple column spatial organization. 相似文献
9.
Three tripodal ligands H3L1–3 containing imidazole rings were synthesized by the reaction of 1,10‐phenanthroline‐5,6‐dione with 1,3,5‐tris[(3‐formylphenoxy)methyl]benzene, 1,3,5‐tris[(3‐formylphenoxy)methyl]‐2,4,6‐trimethylbenzene, and 2,2′,2"‐tris[(3‐formylphenoxy)ethyl]amine, respectively. Trinuclear RuII polypyridyl complexes [(bpy)6Ru3H3L1–3](PF6)6 were prepared by the condensation of Ru(bpy)2Cl2 · 2H2O with ligands H3L1–3. The pH effects on the UV/Vis absorption and fluorescence spectra of the three complexes were studied, and ground‐ and excited‐state ionization constants of the three complexes were derived. The three complexes act as “off‐on‐off” fluorescence pH switch through protonation and deprotonation of imidazole ring with a maximum on‐off ratio of 5 in buffer solution at room temperature. 相似文献
10.
Pablo A. Raffo Fabio D. Cukiernik Ricardo F. Baggio 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(2):84-88
The title three‐component cocrystal, C6F3I3·2C5H5NO·H2O, has been prepared as a strong candidate for multiple I...O interactions. Its crystal structure is compared with its 1:1 close relative, C6F3I3·C5H5NO [Aakeröy et al. (2014a). CrystEngComm, 16 , 28–31]. The 1,3,5‐trifluoro‐2,4,6‐triiodobenzene and water species both have crystallographic twofold axial symmetry. The main synthon in both structures is the π–π stacking of benzene rings, complemented by a number of O—H...O, C—F...π and, fundamentally, C—I...O interactions. As expected, the latter are among the strongest and more directional interactions of the sort reported in the literature, confirming that pyridine N‐oxide is an eager acceptor. On the other hand, the structure presents only two of these contacts per 1,3,5‐trifluoro‐2,4,6‐triiodobenzene molecule instead of the expected three. Possible reasons for this limitation are analyzed. 相似文献
11.
Genivaldo Júlio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o372-o375
Crystals of 2,4,6‐triamino‐1,3,5‐triazine‐1,3‐dium bis(trifluoroacetate) trihydrate, C3H8N62+·2CF3COO−·3H2O, and 2,4,6‐triamino‐1,3,5‐triazine‐1,3‐dium bis(trichloroacetate) dihydrate, C3H8N62+·2CCl3COO−·2H2O, both contain doubly protonated melamine rings that lie on crystallographic twofold axes. In the former structure, one water molecule also lies on a twofold axis. While the trifluoroacetate compound crystallizes in a centrosymmetric space group, the trichloroacetate is non‐centrosymmetric, so it is useful as a material for non‐linear optics. The efficiency of second harmonic generation is about three times greater than that of KDP (KH2PO4). A combination of ionic and donor–acceptor hydrogen‐bond interactions link the melaminium(2+) residues with trifluoroacetate or trichloroacetate ions and water molecules to form a three‐dimensional network. 相似文献
12.
Photocatalytic processes arising from irradiated semiconductor oxide suspensions containing 1,3,5-triazine (s-triazine) derivatives
are described. Whereas unsubstituted 1,3,5-triazine undergoes hydrolysis, irrespective of the presence of the photocatalyst,
other chloro-, amino-, mercapto-, allyloxo-, carboxy- derivatives give rise, in the presence of band-gap excited semiconductor
oxide, to nearly stoichiometric formation of 2,4,6-trihydroxy-1,3,5-triazine (cyanuric acid). This last compound is stable
toward photocatalytic conditions as well as to ·OH chemically generated in homogeneous solution (H2O2/UV or Fenton's reagent). Only partial conversion in cyanuric acid is observed for 2,4,6-tris(2-pyridyl)-1,3,5-triazine and
possible explanation is given. The formation of inorganic species (nitrate, chloride, sulfate and ammonium ions) is reported
and the mechanism of their evolution presented. 相似文献
13.
Saier Wang Rong Bi Jiadi Liu Ying Shi Kuaibing Wang Feifei Mao Hua Wu 《Acta Crystallographica. Section C, Structural Chemistry》2020,76(1):10-16
With the rapid development of metal–organic frameworks (MOFs), a variety of MOFs and their derivatives have been synthesized and reported in recent years. Commonly, multifunctional aromatic polycarboxylic acids and nitrogen‐containing ligands are employed to construct MOFs with fascinating structures. 4,4′,4′′‐(1,3,5‐Triazine‐2,4,6‐triyl)tribenzoic acid (H3TATB) and the bidentate nitrogen‐containing ligand 1,3‐bis[(imidazol‐1‐yl)methyl]benzene (bib) were selected to prepare a novel ZnII‐MOF under solvothermal conditions, namely poly[[tris{μ‐1,3‐bis[(imidazol‐1‐yl)methyl]benzene}bis[μ3‐4,4′,4′′‐(1,3,5‐triazine‐2,4,6‐triyl)tribenzoato]trizinc(II)] dimethylformamide disolvate trihydrate], {[Zn3(C24H12N3O6)2(C14H14N4)3]·2C3H7NO·3H2O}n ( 1 ). The structure of 1 was characterized by single‐crystal X‐ray diffraction, IR spectroscopy and powder X‐ray diffraction. The properties of 1 were investigated by thermogravimetric and fluorescence analysis. Single‐crystal X‐ray diffraction shows that 1 belongs to the monoclinic space group Pc. The asymmetric unit contains three crystallographically independent ZnII centres, two 4,4′,4′′‐(1,3,5‐triazine‐2,4,6‐triyl)tribenzoate (TATB3?) anions, three complete bib ligands, one and a half free dimethylformamide molecules and three guest water molecules. Each ZnII centre is four‐coordinated and displays a distorted tetrahedral coordination geometry. The ZnII centres are connected by TATB3? anions to form an angled ladder chain with large windows. Simultaneously, the bib ligands link ZnII centres to give a helical Zn–bib–Zn chain. Furthermore, adjacent ladders are bridged by Zn–bib–Zn chains to form a fascinating three‐dimensional self‐penetrated framework with the short Schläfli symbol 65·7·813·9·10. In addition, the luminescence properties of 1 in the solid state and the fluorescence sensing of metal ions in suspension were studied. Significantly, compound 1 shows potential application as a fluorescent sensor with sensing properties for Zr4+ and Cu2+ ions. 相似文献
14.
Dipl.‐Chem. Manuel Stapf Dr. Wilhelm Seichter Prof. Dr. Monika Mazik 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(17):6350-6354
H3O+ and OH?, formed by the self‐ionization of two coordinating water molecules during the crystal growing of a host molecule [1,3,5‐tris(hydroxymethyl)2,4,6‐triethylbenzene ( 1 )], could be effectively stabilized by hydrogen‐bonding interactions with the preorganized hydroxy groups of three molecules of 1. The binding motifs observed in the complex ( 1 )3?H3O+?HO? show remarkable similarity to those postulated for the hydrated hydronium and hydroxide ion complexes, which play important roles in various chemical, biological, and atmospheric processes, but their molecular structures are still not fully understood and remain a subject of intensive research. 相似文献
15.
Pickering stabilization is a facile method to create composite colloidal particles. Inorganic colloidal SiO2 nanoparticles are often used as the stabilizer for particles instead of the more common amphiphilic surfactants. Here the use of this approach in radical‐mediated thiol‐ene suspension polymerizations using monomers 1,3,5‐triallyl‐1,3,5‐triazine‐2,4,6(1H,3H,5H)‐trione (TTT) and pentaerythritol tetrakis (3‐mercaptopropionate) (PETMP) is described. The resulting micron‐sized crosslinked poly(thioether) colloidal particles are coated with 80 nm silica nanoparticles. The addition of a small amount of various costabilizers is examined (hexadecane, cetyl alcohol and toluene), and while all yielded particles, cetyl alcohol provide more consistent results. Scanning electron microscopy and thermal analysis of the composite particles demonstrate morphologies that are consistent with a raspberry‐like structure. No significant changes to the glass transition temperature are observed, which is consistent with the silica nanoparticles being located at the surface of the polymer particles. 相似文献
16.
Xia Wang Ning Ling Hanbing Li Xiaohe Xiao Yawen Zhang 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(7):1002-1010
Two new coordination polymers, namely poly[[hexathiocyanatotetrakis{μ3‐2,4,6‐trimethyl‐1,3,5‐tris[(triazol‐1‐yl)methyl]benzene}tricadmium(II)] 3.5‐hydrate], {[Cd3(SCN)6(C18H21N9)4]·3.5H2O}n ( 1 ), and poly[[hexathiocyanatotetrakis{μ3‐2,4,6‐trimethyl‐1,3,5‐tris[(triazol‐1‐yl)methyl]benzene}trizinc(II)] 3.5‐hydrate], {[Zn3(SCN)6(C18H21N9)4]·3.5H2O}n ( 2 ), have been synthesized under hydrothermal conditions and characterized by elemental analysis, IR spectroscopy and single‐crystal X‐ray diffraction analysis. From the X‐ray analysis, it is noteworthy that polymers 1 and 2 are isostructural, with their three‐dimensional structures composed of three kinds of four‐connection metal ions and two kinds of three‐connection 2,4,6‐trimethyl‐1,3,5‐tris[(triazol‐1‐yl)methyl]benzene (TTTMB) ligand nodes. Each metal ion is six‐coordinated in a slightly distorted octahedral geometry. The antioxidant activity against DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) and the antidiabetic activity against α‐amylase of the synthesized compounds were evaluated in vitro. The results of the DPPH free‐radical scavenging assay showed that polymers 1 and 2 exhibited strong antioxidant effects, with IC50 values of 3.81 and 2.56 mg ml?1, respectively. The IC50 value in the antidiabetic studies of polymer 1 was 3.94 mg ml?1, while polymer 2 exhibited no antidiabetic activity. Polymers 1 and 2 revealed different inhibitory activities on DPPH and α‐amylase, which indicated that the metal ions play important roles in the biological activity of coordination polymers. In addition, the solid‐state photoluminescence properties and thermal stability of 1 and 2 have been investigated. 相似文献
17.
Jan Janczak Genivaldo Julio Perptuo 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(9):1120-1122
The crystals of a new melaminium salt, 2,4,6‐triamino‐1,3,5‐triazin‐1‐ium chloride hemihydrate, C3H7N6+·Cl?·0.5H2O, are built up from single‐protonated melaminium residues, chloride anions and water molecules. The protonated melaminium cations lie on a twofold axis, while the chloride anions and water molecule lie on the m plane. The melaminium residues are interconnected by N—H?N hydrogen bonds, forming chains parallel to the (001) plane. The chains of melaminium residues form a three‐dimensional network through hydrogen‐bond interactions with chloride anions and water molecules. 相似文献
18.
Eight new multinuclear FeIII and CrIII complexes involving the tetradentate Schiff bases N,N′‐bis(salicylidene)ethylenediamine (salenH2) or N,N′‐bis(salicylidene)benzene‐1,2‐diamine (salophH2) and the two new ligands 4,4′,4″,4′′′,4′′′′,4′′′″‐[1,3,5‐triazine‐2,4,6‐triyltris(nitrilomethylidyne‐4,1‐phenyleneoxy‐1,3,5‐triazine‐6,2,4‐triyldiimino)]hexakis[benzoic acid] ( 4 ) or 5,5′,5″,5′′′,5′′′′,5′′′″‐[1,3,5‐triazine‐2,4,6‐triyltris(nitrilomethylidyne‐4,1‐phenyleneoxy‐1,3,5‐triazine‐6,2,4‐triyldiimino)]hexakis[benzene‐1,3‐dicarboxylic acid] ( 5 ) were synthesized (Schemes 1 and 2) and characterized by means of 1H‐NMR and FT‐IR spectroscopy, elemental analysis, LC/MS analysis, AAS (atomic‐absorption spectrum) analysis, thermal analyses, and magnetic‐susceptibility measurements. The complexes can also be characterized as low‐spin distorted‐octahedral FeIII and CrIII complexes bridged by carboxylato moieties. 相似文献
19.
Mikhail E. Minyaev Dmitrii M. Roitershtein Ilya E. Nifant'ev Ivan V. Ananyev Tatyana V. Minyaeva Timofey A. Mikhaylyev 《Acta Crystallographica. Section C, Structural Chemistry》2015,71(6):491-498
(1RS,2SR,3RS,4SR,5RS)‐2,4‐Dibenzoyl‐1,3,5‐triphenylcyclohexan‐1‐ol or (4‐hydroxy‐2,4,6‐triphenylcyclohexane‐1,3‐diyl)bis(phenylmethanone), C38H32O3, (1), is formed as a by‐product in the NaOH‐catalyzed synthesis of 1,3,5‐triphenylpentane‐1,5‐dione from acetophenone and benzaldehyde. Single crystals of the chloroform hemisolvate, C38H32O3·0.5CHCl3, were grown from chloroform. The structure has triclinic (P) symmetry. One diastereomer [as a pair of (1RS,2SR,3RS,4SR,5RS)‐enantiomers] of (1) has been found in the crystal structure and confirmed by NMR studies. The dichoromethane hemisolvate has been reported previously [Zhang et al. (2007). Acta Cryst. E 63 , o4652]. (1RS,2SR,3RS,4SR,5RS)‐2,4‐Dibenzoyl‐3,5‐bis(2‐methoxyphenyl)‐1‐phenylcyclohexan‐1‐ol or [4‐hydroxy‐2,6‐bis(2‐methoxyphenyl)‐4‐phenylcyclohexane‐1,3‐diyl]bis(phenylmethanone), C40H36O5, (2), is also formed as a by‐product, under the same conditions, from acetophenone and 2‐methoxybenzaldehyde. Crystals of (2) have been grown from chloroform. The structure has orthorhombic (Pca21) symmetry. A diastereomer of (2) possesses the same configuration as (1). In both structures, the cyclohexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2‐methoxyphenyl) in equatorial positions. The molecules of (1) and (2) both display one intramolecular O—H...O hydrogen bond. 相似文献
20.
Julia Bkowicz Ilona Turowska‐Tyrk 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(1):o29-o32
The geometrical parameters governing the potential for the photocyclization reaction occurring in crystals of 2,3,4,5,6‐pentamethylbenzophenone, C18H20O, (I), 1,3‐diphenylbutan‐1‐one, C16H16O, (II), and 2,4,6‐triisopropyl‐4′‐methoxybenzophenone, C23H30O2, (IV), have been evaluated. Compound (IV) undergoes photocyclization but (I) and (II) do not, despite the fact that their geometrical parameters appear equally favourable for reaction. The structure of the partially reacted crystal of the photoactive compound, i.e. 2,4,6‐triisopropyl‐4′‐methoxybenzophenone–3,5‐diisopropyl‐7‐(4‐methoxyphenyl)‐8,8‐dimethylbicyclo[4.2.0]octa‐1,3,5‐trien‐7‐ol (9/1), 0.90C23H30O2·0.10C23H30O2, (III), was also determined, providing structural evidence for the reactivity of the compound. It has been found that the carbonyl group of the photoactive compound reacts with one of the two o‐isopropyl groups. The study has shown that the intramolecular geometrical parameters are not the only factors influencing the reactivity of compounds in crystals. 相似文献