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1.
Ernesto Schulz Lang Robert A. Burrow Juraci Diniz 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):471-472
The β modification of pyridinium dichloroiodide, C5H6N+·Cl2I?, was obtained as yellow crystals by the reaction of (C5NH5)AuCl3, C5H6N+·Cl? and I2 in a vacuum‐sealed ampoule. The dichloroiodide ion is nearly symmetric and linear with I—Cl bond lengths of 2.544 (3) and 2.550 (3) Å and a Cl—I—Cl angle of 179.68 (12)°. 相似文献
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3.
Andrzej Okuniewski Damian Rosiak Jarosaw Chojnacki 《Acta Crystallographica. Section C, Structural Chemistry》2020,76(5):468-475
By the reaction of urea or thiourea, acetylacetone and hydrogen halide (HF, HBr or HI), we have obtained seven new 4,6‐dimethyl‐2‐pyrimido(thio)nium salts, which were characterized by single‐crystal X‐ray diffraction, namely, 4,6‐dimethyl‐2‐oxo‐2,3‐dihydropyrimidin‐1‐ium bifluoride, C6H9N2O+·HF2? or (dmpH)F2H, 4,6‐dimethyl‐2‐oxo‐2,3‐dihydropyrimidin‐1‐ium bromide, C6H9N2O+·Br? or (dmpH)Br, 4,6‐dimethyl‐2‐oxo‐2,3‐dihydropyrimidin‐1‐ium iodide, C6H9N2O+·I? or (dmpH)I, 4,6‐dimethyl‐2‐oxo‐2,3‐dihydropyrimidin‐1‐ium iodide–urea (1/1), C6H9N2O+·I?·CH4N2O or (dmpH)I·ur, 4,6‐dimethyl‐2‐sulfanylidene‐2,3‐dihydropyrimidin‐1‐ium bifluoride–thiourea (1/1), C6H9N2S+·HF2?·CH4N2S or (dmptH)F2H·tu, 4,6‐dimethyl‐2‐sulfanylidene‐2,3‐dihydropyrimidin‐1‐ium bromide, C6H9N2S+·Br? or (dmptH)Br, and 4,6‐dimethyl‐2‐sulfanylidene‐2,3‐dihydropyrimidin‐1‐ium iodide, C6H9N2S+·I? or (dmptH)I. Three HCl derivatives were described previously in the literature, namely, 4,6‐dimethyl‐2‐oxo‐2,3‐dihydropyrimidin‐1‐ium chloride, (dmpH)Cl, 4,6‐dimethyl‐2‐sulfanylidene‐2,3‐dihydropyrimidin‐1‐ium chloride monohydrate, (dmptH)Cl·H2O, and 4,6‐dimethyl‐2‐sulfanylidene‐2,3‐dihydropyrimidin‐1‐ium chloride–thiourea (1/1), (dmptH)Cl·tu. Structural analysis shows that in 9 out of 10 of these compounds, the ions form one‐dimensional chains or ribbons stabilized by hydrogen bonds. Only in one compound are parallel planes present. In all the structures, there are charge‐assisted N+—H…X? hydrogen bonds, as well as weaker CAr+—H…X? and π+…X? interactions. The structures can be divided into five types according to their hydrogen‐bond patterns. All the compounds undergo thermal decomposition at relatively high temperatures (150–300 °C) without melting. Four oxopyrimidinium salts containing a π+…X?…π+ sandwich‐like structural motif exhibit luminescent properties. 相似文献
4.
Andreas Lemmerer David G. Billing Janine M. Robinson 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(9):o481-o484
In 1‐naphthylammonium iodide, C10H10N+·I−, and naphthalene‐1,8‐diyldiammonium diiodide, C10H12N22+·2I−, the predominant hydrogen‐bonding pattern can be described using the graph‐set notation R42(8). This is the first report of a structure of a diprotonated naphthalene‐1,8‐diyldiammonium salt. 相似文献
5.
Daron E. Janzen Paul C. Ewbank Kent R. Mann 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o631-o633
In the crystal structure of the title compound, C8H18N22+·2I−·CH3CN, the dication lies on a mirror plane containing the molecular dication threefold axis. The structure displays C—H⋯I interactions between H atoms of the 1,4‐dimethyl‐1,4‐diazoniabicyclo[2.2.2]octane dication and the iodide anions. The H⋯I distances are in the range 2.96–3.18 (4) Å. The dications pack forming channels along the b axis, which contain the iodide anions and acetonitrile solvent molecules. 相似文献
6.
Shu‐Qiang Li Ning‐Hai Hu 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(12):o581-o584
The asymmetric unit of the title compound, C12H17N4OS+·I−·1.25H2O, contains two crystallographically independent molecules. Both formula units assume the usual F conformation and have the hydroxyethyl group disordered over two sites, each with half occupation. Two thiamine cations are linked by hydrogen bonds into a cyclic dimer. These dimers are further connected by base‐pairing hydrogen bonds into a chain along [010]. The stacked dimers form channels, which are occupied by iodide anions. The cations and anions are associated by N—H...I hydrogen bonds, C—H...I interactions and I...thiazolium ring close contacts. The interactions between thiamine and the iodide anions are similar to those observed in monoclinic thiamine iodide 1.5‐hydrate [Hu & Zhang (1993). J. Inclusion Phenom. Mol. Recognit. Chem. 16 , 273–281]. 相似文献
7.
Reactions of copper(I) halides (Cl, Br, I) with 1‐methyl‐1, 3‐imidazoline‐2‐thione (mimzSH) in 1 : 2 molar ratio yielded sulfur‐bridged dinuclear [Cu2X2(μ‐S‐mimzSH)2(η1‐S‐mimzSH)2] (X = I, 1 , Br, 2 ; Cl, 3 ) complexes. Copper(I) iodide with 1,3‐imidazoline‐2‐thione (imzSH2) and Ph3P in 1 : 1 : 1 molar ratio has also formed a sulfur‐bridged dinuclear [Cu2I2(μ‐S‐imzSH2)2(PPh3)2] ( 4 ) complex. The central Cu(μ‐S)2Cu cores form parallelograms with unequal Cu–S bond distances {2.324(2), 2.454(3) Å} ( 1 ); {2.3118(6), 2.5098(6) Å} ( 2 ); {2.3075(4), 2.5218(4) Å} ( 3 ); {2.3711(8), 2.4473(8) Å} ( 4 ). The Cu···Cu separations, 2.759–2.877Å in complexes 1 – 3 are much shorter than 3.3446Å in complex 4 . The weak intermolecular interactions {H2CH···S# ( 2 ); CH···Cl# ( 3 ); NH···I# ( 4 )} between dimeric units in complexes 2 – 4 lead to the formation of linear 1D polymers. 相似文献
8.
Karl Hensen Ralf Mayr‐Stein Stephan Rühl Michael Bolte 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(5):614-615
At 173 K, the dication of the title compound, C24H28Cl2N4Si2+·2I3?·CHCl3, is located on a crystallographic fourfold rotation axis. The chloro ligands occupy axial positions and the four 4‐methylpyridine ligands lie in the equatorial plane. The almost linear I3? ion is located on a crystallographic mirror plane and displays two significantly different I—I bond lengths. Furthermore, chloroform molecules, which are disordered about a centre of inversion, fill the remaining gaps in the crystal structure. 相似文献
9.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(9):682-687
To enable a comparison between a C—H…X hydrogen bond and a halogen bond, the structures of two fluorous‐substituted pyridinium iodide salts have been determined. 4‐[(2,2‐Difluoroethoxy)methyl]pyridinium iodide, C8H10F2NO+·I−, (1), has a –CH2OCH2CF2H substituent at the para position of the pyridinium ring and 4‐[(3‐chloro‐2,2,3,3‐tetrafluoropropoxy)methyl]pyridinium iodide, C9H9ClF4NO+·I−, (2), has a –CH2OCH2CF2CF2Cl substituent at the para position of the pyridinium ring. In salt (1), the iodide anion is involved in one N—H…I and three C—H…I hydrogen bonds, which, together with C—H…F hydrogen bonds, link the cations and anions into a three‐dimensional network. For salt (2), the iodide anion is involved in one N—H…I hydrogen bond, two C—H…I hydrogen bonds and one C—Cl…I halogen bond; additional C—H…F and C—F…F interactions link the cations and anions into a three‐dimensional arrangement. 相似文献
10.
Conditions for the quantitative coulometric titration of iodide and iodine with electrolytically generated hypobromite in the presence of borax buffer have been established. Iodide and iodine are oxidized to iodate. The method, with biamperometric indication of the equivalence point, was successfully applied for a wide range of iodide concentrations (6.21–2115μg with reliability intervals of ±0.21–±11μg) and iodine concentrations (24.26–3311μg with reliability intervals of ±0.36–±11.7μg). The determinations are accurate and sensitive even in the presence of large amounts of bromides and chlorides (= 1.2·106 and ?I?=4.0·103), as well as in the presence of oxidizing agents such as IO3?, BrO3? and CrO42? (3?/I2)=3.2·105, 3?/I2=3.1·103, -3/I2=1.1·104 and 2-4/I2=1.0·104, as was confirmed by statistical tests. The oxidation mechanism under the conditions of coulometric titrations is discussed. 相似文献
11.
Robert J. Hinkle Robert McDonald 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):o117-o121
The crystal structures of [(Z)‐2‐methylbut‐1‐en‐1‐yl][4‐(trifluoromethyl)phenyl]iodonium trifluoromethanesulfonate, C12H13F3I+·CF3O3S?, (I), (3,5‐dichlorophenyl)[(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium trifluoromethanesulfonate, C11H12Cl2I+·CF3O3S?, (II), and bis{[3,5‐bis(trifluoromethyl)phenyl][(Z)‐2‐methylbut‐1‐en‐1‐yl]iodonium} bis(trifluoromethanesulfonate) dichloromethane solvate, 2C13H12F6I+·2CF3O3S?·CH2Cl2, (III), are described. Neither simple acyclic β,β‐dialkyl‐substituted alkenyl(aryl)idonium salts nor a series containing electron‐deficient aryl rings have been described prior to this work. Compounds (I)–(III) were found to have distorted square‐planar geometries, with each I atom interacting with two trifluoromethanesulfonate counter‐ions. 相似文献
12.
Malcolm A. Halcrow Colin A. Kilner 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(7):m424-m426
The title compound, [CuI(C17H21N5)]·CH2Cl2, contains a tetracoordinate CuI centre with an unusual distorted tetrahedral stereochemistry, which has also been observed in other CuI complexes containing this tridentate ligand. This distortion is probably a result of intermolecular steric contacts between the I? ligand and a neighbouring CH2Cl2 molecule. 相似文献
13.
Wolfgang Petz Prof. Dr. Samuel Heimann Florian Öxler Bernhard Neumüller Prof. Dr. 《无机化学与普通化学杂志》2007,633(3):365-367
The reaction of the carbodiphosphorane Ph3P=C=PPh3 ( 1 ) with MeI in the presence of iodine gives the oxidation product (IC(PPh3)2)2I[I3]·(I2)2 ( 2 ). In the solid state dimeric units linked by indefinite ···I?···I2···I3?···I2···I?··· chains are found. An additional I···I contact between the cation and the I2 molecule is formed, amounting to 359.23(5) pm. 2 crystallizes in the monoclinic space group P2/c, with the unit cell dimensions a = 2053.9(1), b = 1011.4(1), c = 1889.8(1) pm; β = 105.21(1)° and Z = 4. 相似文献
14.
A new two‐photon material, 3E,6E‐bis(2‐pyrid‐4′‐ylvinyl)dibenzothiophene (BPVDBT), has been firstly synthesized by an efficient Pd‐catalyzed Heck coupling route. The single‐ and two‐photon fluorescence, quantum yields, lifetimes, solvent effects of the chromophore were studied in detail and the compound exhibited solvent‐sensitivity. The fluorescence intensity (Iout) and input excitation intensity (Iin) can fit in well with the quadratic parabolas, which indicates that the up‐converted fluorescence was induced by the two‐photon absorption (TPA). TPA cross‐section of BPVDBT has been measured using the two‐photon‐induced fluorescence method, whose value is 14.24×10?50 cm4·s·photon?1·molecule?1 at 750 nm. The experimental results confirm that BPVDBT is a good two‐photon absorbing chromophore with an A‐π‐A type. 相似文献
15.
Studies on Polyhalides. 16. Preparation and Crystal Structures of Bipyridiniumpolyiodides Bipy · HIn with n = 3, 5, and 7 With simply protonated α,α′-Bipyridyl Bipy · H+ a triiodide Bipy · HI3, a pentaiodide Bipy · HI5 and a heptaiodide Bipy · HI7 may be prepared in the presence of iodide ions I? and dependent of the iodine I2 content. Bipyridiniumtriiodide C10H9N2I3 crystallizes at room temperature monoclinically in P21/n with a = 1 122.8(1) pm, b = 1 072.7(1) pm, c = 1 200.2(3) pm, β = 98.02(2)° and Z = 4. The crystal structure is built up from mixed cationic and anionic layers. Bipyridiniumpentaiodide C10H9N2I5 crystallizes at room temperature monoclinically in P21/c with a = 887.3(5) pm, b = 2 527.9(12) pm, c = 830.7(3) pm, β = 106.78(5)° and Z = 4. The crystal structure contains triiodide ions I3? till now uniquely connected by iodine molecules I2 in a trigonal planar way. Bipyridiniumheptaiodide C10H9N2I7 crystallizes at room temperature triclinically in P&1macr; with a = 713.1(3) pm, b = 1 007.9(3) pm, c = 1 464,8(4) pm, α = 81.07(3)°, β = 89.92(3)°, γ = 82.77(3)° and Z = 2. The crystal structure contains a V-shaped pentaiodide ion I5? completed by an iodine molecule I2 to a trigonal pyramidally shaped heptaiodide ion I7? and at the same time connected to a zigzag chain. 相似文献
16.
Ethan A. Wappes Stacy C. Fosu Trevor C. Chopko Prof. Dr. David A. Nagib 《Angewandte Chemie (International ed. in English)》2016,55(34):9974-9978
The Cδ?H amination of unactivated, secondary C?H bonds to form a broad range of functionalized pyrrolidines has been developed by a triiodide (I3?)‐mediated strategy. By in situ 1) oxidation of sodium iodide and 2) sequestration of the transiently generated iodine (I2) as I3?, this approach precludes undesired I2‐mediated decomposition which can otherwise limit synthetic utility to only weak C(sp3)?H bonds. The mechanism of this triiodide‐mediated cyclization of unbiased, secondary C(sp3)?H bonds, by either thermal or photolytic initiation, is supported by NMR and UV/Vis data, as well as intercepted intermediates. 相似文献
17.
Elizabeth F. Day Norman S. Dean Andreas H. Franz 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(9):o571-o573
X‐ray analysis of the title compound reveals three crystallographically distinct cations of 1,9‐diethyladeninium, two iodide anions and one triiodide anion in the asymmetric unit, giving six residues and the formula 3C9H14N5+·I3−·2I−. Standard purine nomenclature is used to identify the atoms of each adenine moiety. Hydrogen bonding is observed between atoms N6 and N7 of a pair of cations [N⋯N = 2.885 (4)/2.902 (3) and 2.854 (3)/2.854 (3) Å], with additional hydrogen bonding to I− anions via the other N6 H atom [N⋯I = 3.708 (3), 3.738 (3) and 3.638 (3) Å]. The triiodide anion is not involved in hydrogen bonding. The bond lengths and angles of the 1,9‐diethyladeninium cations are compared with literature values and confirm the formation of the imine tautomer. 相似文献
18.
Genivaldo Júlio Perptuo Jan Janczak 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(5):o264-o268
Crystals of 1‐(diaminomethylene)thiouron‐1‐ium chloride, C2H7N4S+·Cl−, 1‐(diaminomethylene)thiouron‐1‐ium bromide, C2H7N4S+·Br−, and 1‐(diaminomethylene)thiouron‐1‐ium iodide, C2H7N4S+·I−, are built up from the nonplanar 1‐(diaminomethylene)thiouron‐1‐ium cation and the respective halogenide anion. The conformation of the 1‐(diaminomethylene)thiouron‐1‐ium cation in each case is twisted. Both arms of the cation are planar and rotated in opposite directions around the C—N bonds involving the central N atom. The dihedral angles describing the twisted conformation are 22.9 (1), 15.2 (1) and 4.2 (1)° in the chloride, bromide and iodide salts, respectively. Ionic and extensive hydrogen‐bonding interactions join oppositely charged units into a supramolecular network. The aim of the investigation is to study the influence of the size of the ionic radii of the Cl−, Br− and I− ions on the dimensionality of the hydrogen‐bonding network of the 1‐(diaminomethylene)thiouron‐1‐ium cation. The 1‐(diaminomethylene)thiouron‐1‐ium system should be of use in crystal engineering to form multidimensional networks. 相似文献
19.
《Analytical letters》2012,45(9):2051-2058
Abstract The present paper reports a new chemiluminescence system, i.e, acetone-H2O2?C10?, which can be catalyzed by iodide ion (I?). Based on this catalysis, a new chemiluminescence method for the determination of trace iodide ion is proposed. the optimum conditions are reported in this note. the detection limit is 2 × 10?11 g/ml I?, the linear dynamic range is 4 × 10?10 g/ml to 3 × 10?7 g/ml I?, and the variation coefficient at an iodide concentration of 5 × 10?9 g/ml I? (n=10) is 4.6%. the method has been satisfactorily applied to the determination of trace iodide ion in water. 相似文献
20.
Farhad Haghjoo Nick Barnes Robin Pritchard 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(7):o219-o221
In the crystal structure of the title compound, 2C22H24P+·I82−, the I82− anion is located on a crystallographic inversion centre and consists of two tri‐iodide anions linked by di‐iodine at angles of 89.92 (4)° to form a planar `Z'‐shaped dianion. The octaiodides are linked via long‐range interactions [3.877 (11) Å] into infinite polyiodide ribbons. This is the first example of a structure containing an [(o‐tolyl)3PMe]+ cation, and the CMe—P—C—CMe torsion angles of −54.0 (11), −51.3 (11) and −48.2 (11)° indicate that the configuration is exo3. 相似文献