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1.
Viktor A. Tafeenko Gennady N. Panin Andrey N. Baranov Ivan N. Bardasov Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(12):m541-m547
Yellow–orange tetraaquabis(3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κN3)cadmium(II) dihydrate, [Cd(C8HN4O2)2(H2O)4]·2H2O, (I), and yellow tetraaquabis(3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κN3)cadmium(II) 1,4‐dioxane solvate, [Cd(C8HN4O2)2(H2O)4]·C4H8O2, (II), contain centrosymmetric mononuclear Cd2+ coordination complex molecules in different conformations. Dark‐red poly[[decaaquabis(μ2‐3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olato‐κ2N:N′)bis(μ2‐3‐cyano‐4‐dicyanomethylene‐1H‐pyrrole‐2,5‐diolato‐κ2N:N′)tricadmium] hemihydrate], [Cd3(C8HN4O2)2(C8N4O2)2(H2O)10]·0.5H2O, (III), has a polymeric two‐dimensional structure, the building block of which includes two cadmium cations (one of them located on an inversion centre), and both singly and doubly charged anions. The cathodoluminescence spectra of the crystals are different and cover the wavelength range from UV to red, with emission peaks at 377 and 620 nm for (III), and at 583 and 580 nm for (I) and (II), respectively. 相似文献
2.
Viktor A. Tafeenko Stanislav I. Gurskiy Andrey N. Baranov Tatiana V. Kaisarova Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(2):m52-m55
The structures of three salts of 3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate with alkali metals (Na, K and Rb) are related to their luminescence properties. The Rb salt, rubidium(I) 3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate, Rb+·C8HN4O2−, is isomorphous with the previously reported potassium salt. For the Na compound, sodium(I) 3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate dihydrate, Na+·C8HN4O2−·2H2O, two independent sodium ions, located on inversion centers, are coordinated by four water molecules each and additionally by two cyano groups for one and two carbonyl groups for the other. The luminescence spectra in solution are unaffected by the nature of the cation but vary strongly with the dielectric constant of the solvent. In the solid state, the emission maxima vary with structural features; the redshift of the maximum luminescence varies inversely with the distance between the stacked anions. 相似文献
3.
Viktor A. Tafeenko Olga V. Kaukova Rene Peschar Aleksandr V. Petrov Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(10):m421-m423
The crystal structure of the title potassium salt, K+·C8HN4O2−, of the organic anion 3‐cyano‐4‐(dicyanomethylene)‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate shows that the dicyanomethylene moiety is able to accept an electron in the same way as does tetracyanoethylene, to yield the novel product. The organic anion is nearly planar, with deviations caused by steric crowding among the exocyclic cyano groups. The K+ cations lie within tricapped trigonal prisms that stack to form channels. The three‐dimensional structure is completed by the formation of hydrogen‐bonded chains by the anions. 相似文献
4.
Viktor A. Tafeenko Rene Peschar Yakov S. Kajukov Kirill N. Kornilov Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):o366-o368
Each anion of the title salt, NH4+·C8HN4O2−·H2O, is linked by two N—H⋯O hydrogen bonds to another anion, thus forming an essentially planar centrosymmetric dimer. The dimers are considered to be molecular building blocks of an anionic wall. The building blocks form infinite ribbons via–C—N⋯N—C– dipole–dipole and π–π interactions. Adjacent ribbons are stacked by means of π–π interactions, thus forming an anionic wall. Neighbouring walls are connected by (NH4+…H2O)n chains running along the b axis. 相似文献
5.
Viktor A. Tafeenko Aleksander N. Nikolaev Rene Peschar Olga V. Kaukova Henk Schenk Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(4):o297-o299
The crystal structure of the title compound, C6H8N+·C8HN4O2−, is characterized by three independent ion pairs (A, B and C) in the asymmetric unit. Each ion pair consists of an anion and a cation, and the three ion pairs have similar geometric parameters. All the anions are arranged as dianion dimers via two N—H⋯O hydrogen bonds and the dimers form one‐dimensional columns parallel to the b axis as a result of π–π interactions. The cations are also stacked, in two different ways: one type of stacking consists of alternating A and B cations, while the other type consists of C cations only. Each dianion dimer stack is surrounded by eight stacks of cations and is not connected directly to other dianion stacks. 相似文献
6.
Viktor A. Tafeenko Rene Peschar Olga V. Kaukova Henk Schenk Leonid A. Aslanov 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o62-o64
In the title compound, C8H12N+·C8HN4O2−, the anion and cation lie on a crystallographic mirror plane and form planar ribbons via N—H⋯O [N⋯O = 2.933 (4) Å, H⋯O = 2.01 Å and N—H⋯O = 170°] and N—H⋯N [N⋯N = 3.016 (5) Å, H⋯N = 2.15 Å and N—H⋯N = 169°] hydrogen bonds. The ribbons are further linked via weak C—H⋯O and C—H⋯N hydrogen bonds. In adjacent planes, anions lie opposite cations; π–π interactions (separation a/2 = 3.520 Å) exist between the anions and the cations, and stacks are formed, running along the a axis. The cations are disordered over two interpenetrating sites, with occupancies of 0.833 (5) and 0.167 (5). 相似文献
7.
Viktor A. Tafeenko Vladimir V. Chernyshev 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(6):m298-m300
The coordination of the 3‐cyano‐4‐dicyanomethylene‐5‐oxo‐4,5‐dihydro‐1H‐pyrrol‐2‐olate anion to ZnII, the apical sites of which are occupied by two water molecules, results in the formation of two‐dimensional layers of the title coordination polymer, {[Zn(C8HN4O2)2(H2O)2]·2H2O}n, in which the ZnII cations lie on inversion centres in space group C2/c, with water ligands in the apical sites of octahedral geometry. Hydrogen bonds between coordinated and lattice water molecules, and π–π stacking interactions between the anions link adjacent layers into a continuous framework. 相似文献
8.
An efficient one‐pot synthesis of 3‐[(4,5‐dihydro‐1H‐pyrrol‐3‐yl)carbonyl]‐2H‐chromen‐2‐one (=3‐[(4,5‐dihydro‐1H‐pyrrol‐3yl)carbonyl]‐2H‐1‐benzopyran‐2‐one) derivatives 4 by a four‐component reaction of a salicylaldehyde 1 , 4‐hydroxy‐6‐methyl‐2H‐pyran‐2‐one, a benzylamine 2 , and a diaroylacetylene (=1,4‐diarylbut‐2‐yne‐1,4‐dione) 3 in EtOH is reported. This new protocol has the advantages of high yields (Table), and convenient operation. The structures of these coumarin (=2H‐1‐benzopyran‐2‐one) derivatives, which are important compounds in organic chemistry, were confirmed spectroscopically (IR, 1H‐ and 13C‐NMR, and EI‐MS) and by elemental analyses. A plausible mechanism for this reaction is proposed (Scheme 2). 相似文献
9.
Graeme J. Gainsford Mohamed Ashraf M. Delower H. Bhuiyan Andrew J. Kay 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(3):o107-o110
The title compound, 2C5H7N2+·2C23H13O2−·H2O, formed as a by‐product in the attempted synthesis of a nonlinear optical candidate molecule, contains two independent 4‐aminopyridinium cations and 2‐(anthracen‐9‐yl)‐3‐oxo‐3H‐inden‐1‐olate anions with one solvent water molecule. This is the first reported structure containing these anions. The two anions are not planar, having different interplanar angles between the anthracenyl and inden‐1‐olate moieties of 59.07 (5) and 83.92 (5)°. The crystal packing, which involves strong classical hydrogen bonds and one C—H...π interaction, appears to account for both the nonplanarity and this difference. 相似文献
10.
N‐[(5‐Cyano‐2‐oxoimidazolidin‐4‐yl)‐iminomethyl]‐p‐toluensulfonamide 3 was prepared in fairly good yield by the base catalyzed cyclisation of N‐[(Z)‐2‐amino‐1,2‐dicycanovinylcarbamoyl]‐p‐toluenesulfon‐amide 2 . The N‐[(Z)‐2‐amino‐1,2‐dicycanovinyl carbamoyl]‐p‐toluenesulfonamide 2 was reacted readily with two molar amount of p‐nitrobenzaldehyde at room temperature in the presence of base to give 7,8‐dihy‐dro‐2‐(4‐nitrophenyl)‐8‐oxo‐9‐tosylpurine‐6‐carboxamide 8 . Thiation of compounds 3 and 8 using Lawesson's reagent in tetrahydrofuran gave novel thioimidazoles 4, 5 , and 6 and thiopurines 9, 10 , and 11 , which have been characterized spectroscopically. 相似文献
11.
Prashant R. Latthe Vinay A. Sunagar Bharati V. Badami 《Journal of heterocyclic chemistry》2007,44(6):1363-1371
12.
G. Pelosi M. Belicchi Ferrari M. C. Rodríguez‐Argüelles S. Mosquera‐Vzquez J. Sanmartín 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(6):m241-m242
The title compound, Na+·C9H7N4O5S−·2H2O, presents a Z configuration around the imine C=N bond and an E configuration around the C(O)NH2 group, stabilized by two intramolecular hydrogen bonds. The packing is governed by ionic interactions between the Na+ cation and the surrounding O atoms. The ionic unit, Na+ and 2‐oxo‐3‐semicarbazono‐2,3‐dihydro‐1H‐indole‐5‐sulfonate, forms layers extending in the bc plane. The layers are connected by hydrogen bonds involving the water molecules. 相似文献
13.
On irradiation (254 nm), the newly synthesized Boc‐protected 5‐alkenyl‐2,5‐dihydro‐1H‐pyrrol‐2‐ones 13 undergo regioselective intramolecular [2+2] photocycloadditions. While the allyl derivatives 13a – 13c afford mainly azatricyclo[3.3.0.02,7]octanones, i.e., crossed cycloadducts, the butenyl‐ and pentenyl‐substituted compounds 13d and 13e isomerize preferentially to straight cycloadducts. 相似文献
14.
Qi Liu Xiu‐Qing Song Hong Yan 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(10):965-970
Four tetramethyl 4,4′‐(ethane‐1,2‐diylidene)bis[1‐R‐5‐oxo‐4,5‐dihydro‐1H‐pyrrole‐2,3‐dicarboxylate] compounds, denoted class (1), are a series of conjugated buta‐1,3‐dienes substituted with a heterocyclic group. The compounds can be used as dyes and pigments due to their long‐range conjugated systems. Four structures were studied using 1H NMR, 13C NMR and mass spectroscopy, viz. with R = 2,4,6‐trimethylphenyl, (1a), R = cyclohexyl, (1b), R = tert‐butyl, (1c), and R = isopropyl, (1d). A detailed discussion is presented regarding the characteristics of the three‐dimensional structures based on NMR analysis and the X‐ray crystal structure of (1a), namely tetramethyl 4,4′‐(ethane‐1,2‐diylidene)bis[5‐oxo‐1‐(2,4,6‐trimethylphenyl)‐4,5‐dihydro‐1H‐pyrrole‐2,3‐dicarboxylate], C36H36N2O10. The conjugation plane and stability were also studied via quantum chemical calculations. 相似文献
15.
Wayland E. Noland Kevin P. Cole Doyle Britton 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(5):o263-o267
The title (1H‐pyrrol‐2‐yl)pyridines, C9H8N2, substituted at the ortho, meta, and para positions of the pyridine ring all have hydrogen‐bonded arrangements with geometrically similar, nearly linear, N(pyrrole)—H⋯N(pyridine) hydrogen bonds of average length. The graph sets for the ortho, meta, and three para polymorphs are R(10), C(6), C(7), C(7), and R(28), respectively. 相似文献
16.
A novel conversion of 2, 4‐diaryl‐2, 3‐dihydro‐1 H‐1, 5‐benzodiazepins into 2, 4‐diaryl‐3 H‐1, 5‐benzodiazepines by the reaction with m‐chloroperbenzoic acid (MCPBA) was reported. 相似文献
17.
L. Vijayalakshmi V. Parthasarathi Vipul Vora Bhavik Desai Anamik Shah 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):817-818
In the title salt, C5H12N+·C29H23O6?, both benzopyran systems are planar. Intermolecular N—H?O hydrogen bonds and a short O—H?O intramolecular hydrogen bond are observed in the structure. 相似文献
18.
Lesaw Siero Katarzyna Kie‐Kononowicz Janina Karolak‐Wojciechowska 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):m79-m82
The two title mononuclear compounds are four‐coordinate bis[N‐(5‐oxo‐4,4‐diphenyl‐4,5‐dihydro‐1H‐imidazolidin‐2‐ylidene)glycinato]copper(II) dimethylformamide disolvate, [Cu(C17H14N3O3)2]·2C3H7NO, (I), and five‐coordinate aquabis[N‐(5‐oxo‐4,4‐diphenyl‐4,5‐dihydro‐1H‐imidazolidin‐2‐ylidene)glycinato]copper(II) dimethylformamide disolvate, [Cu(C17H14N3O3)2(H2O)]·2C3H7NO, (II). In (I), the CuII ion lies on an inversion centre with one‐half of the complex molecule in the asymmetric unit, while in (II) there are two independent ligand molecules in the asymmetric unit, with the CuII ion and coordinated water molecule located on a general position. In both crystal structures, the complex molecules assemble in ribbons via N—H...O hydrogen‐bond networks. 相似文献
19.
Rodolfo Moreno‐Fuquen Juan C. Tenorio Javier Ellena Carlos A. De Simone Leandro Ribeiro 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(2):o67-o70
In the title compound, C11H7NO4, there is a dihedral angle of 45.80 (7)° between the planes of the benzene and maleimide rings. The presence of O—H...O hydrogen bonding and weak C—H...O interactions allows the formation of R33(19) edge‐connected rings parallel to the (010) plane. Structural, spectroscopic and theoretical studies were carried out. Density functional theory (DFT) optimized structures at the B3LYP/6–311 G(d,p) and 6–31++G(d,p) levels are compared with the experimentally determined molecular structure in the solid state. Additional IR and UV theoretical studies allowed the presence of functional groups and the transition bands of the system to be identified. 相似文献