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1.
Nevzat Karaday ükriye akmak Mustafa Odabaolu Orhan Büyükgüngr 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o303-o305
The title 4,4′‐disubstituted diphenyl‐1,3‐triazines, C14H15N3, (I), C12H9ClFN3, (II), and C13H12FN3, (III), each contain a triazene group (–N=N—NH–) having an extended conformation. The dihedral angles between the two benzene rings in (I), (II) and (III) are 4.3, 3.4 and 6.5°, respectively. The molecules are almost entirely planar, with maximum deviations from the mean planes of 0.1087 (2), −0.1072 (7) and 0.1401 (3) Å, respectively. In each compound, the molecules are linked by N—H⋯N hydrogen bonds to form chains and pack similarly in the crystal structures. 相似文献
2.
Yoriko Sonoda Seiji Tsuzuki Nobuyuki Tamaoki Midori Goto 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):o196-o200
The crystal structures of the four E,Z,E isomers of 1‐(4‐alkoxyphenyl)‐6‐(4‐nitrophenyl)hexa‐1,3,5‐triene, namely (E,Z,E)‐1‐(4‐methoxyphenyl)‐6‐(4‐nitrophenyl)hexa‐1,3,5‐triene, C19H17NO3, (E,Z,E)‐1‐(4‐ethoxyphenyl)‐6‐(4‐nitrophenyl)hexa‐1,3,5‐triene, C20H19NO3, (E,Z,E)‐1‐(4‐nitrophenyl)‐6‐(4‐n‐propoxyphenyl)hexa‐1,3,5‐triene, C21H21NO3, and (E,Z,E)‐1‐(4‐n‐butoxyphenyl)‐6‐(4‐nitrophenyl)hexa‐1,3,5‐triene, C22H23NO3, have been determined. Intermolecular N⋯O dipole interactions between the nitro groups are observed for the methoxy derivative, while for the ethoxy derivative, two adjacent molecules are linked at both ends through N⋯O dipole–dipole interactions between the N atom of the nitro group and the O atom of the ethoxy group to form a supramolecular ring‐like structure. In the crystal structures of the n‐propoxy and n‐butoxy derivatives, the shortest intermolecular distances are those between the two O atoms of the alkoxy groups. Thus, the nearest two molecules form an S‐shaped supramolecular dimer in these crystal structures. 相似文献
3.
Xiao‐Feng Yang Guang‐You Zhang Yan Zhang Jin‐Yan Zhao Xiang‐Bo Wang 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(4):o262-o264
The title compound, C25H30NO2+·Cl−, has been synthesized, and the crystal structure shows that it is mainly stabilized through intermolecular N—H·Cl and O—H·Cl and intramolecular N—H·O hydrogen bonds. The absolute configuration of the new stereogenic center (the C atom adjacent to the N atom on the phenol side) was determined to have an R configuration. 相似文献
4.
Hümeyra Bat Nezihe alkan Serkan Soylu Murat Ta 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(5):o343-o344
In the title compound, C14H11BrN2O2, which has the oxime group in an E conformation, molecules are linked by strong O—H⋯O and N—H⋯O hydrogen bonds into chains of edge‐fused rings, unlike closely related compounds. 相似文献
5.
Nada Kouti Hulita Aleksandar Danilovski Darko Fili Marina Marinkovi Ernest Metrovi Miljenko Dumi 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(11):o648-o651
The structures of the three title isomers, namely 4‐(2‐methylanilino)pyridine‐3‐sulfonamide, (I), 4‐(3‐methylanilino)pyridine‐3‐sulfonamide, (II), and 4‐(4‐methylanilino)pyridine‐3‐sulfonamide, (III), all C12H13N3O2S, differ in their hydrogen‐bonding arrangements. In all three molecules, the conformation of the 4‐aminopyridine‐3‐sulfonamide moiety is conserved by an intramolecular N—H⋯O hydrogen bond and a C—H⋯O interaction. In the supramolecular structures of all three isomers, similar C(6) chains are formed via intermolecular N—H⋯N hydrogen bonds. N—H⋯O hydrogen bonds lead to C(4) chains in (I), and to R22(8) centrosymmetric dimers in (II) and (III). In each isomer, the overall effect of all hydrogen bonds is to form layer structures. 相似文献
6.
Bartosz Zarychta Anna Piecyk‐Mizgaa Zdzisaw Daszkiewicz Jacek Zaleski 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(8):o515-o517
The structures of the two title isomeric compounds (systematic names: N‐methyl‐N,2‐dinitroaniline and N‐methyl‐N,3‐dinitroaniline, both C7H7N3O4) are slightly different because they exhibit different steric hindrances and hydrogen‐bonding environments. The aromatic rings are planar. The –N(Me)NO2 and –NO2 groups are not coplanar with the rings. Comparison of the geometric parameters of the ortho, meta and para isomers together with those of N‐methyl‐N‐phenylnitramine suggests that the position of the nitro group has a strong influence on the aromatic ring distortion. The crystal packing is stabilized by weak C—H⋯O hydrogen bonds to the nitramine group. 相似文献
7.
Guo‐Hai Xu Jian‐Fang Ma Ying‐Ying Liu Shun‐Li Li 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(12):m581-m583
The title compound, [CrSn(C6H5)3(C7H6NO2)3Cl][Sn(C6H5)3Cl(CH4O)], was obtained from the reaction of Ph3SnCl with the complex [Cr(C7H6NO2)3] in methanol. The structure contains [Ph3SnCl(MeOH)] (A) and [Ph3SnClCr(C7H6NO2)3] (B) molecules. In molecule A, the Sn atom of Ph3SnCl is coordinated by one methanol molecule. In molecule B, the Sn atom of Ph3SnCl is coordinated by one carboxylate O atom of [Cr(C7H6NO2)3]. Molecules A and B are connected through an O—H⋯O hydrogen bond between a carboxylate O atom and the methanol OH group. Weak C—H⋯Cl interactions and O—H⋯O hydrogen bonds extend the components of (I) into a two‐dimensional network. 相似文献
8.
Süheyla
zbey Arzu Akba Gülgün Ayhan‐Kilcigil Rahmiye Ertan 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(9):o559-o561
In the molecule of the title compound, C26H21N3O5S, a new type of sulfonamide derivative with potential antibacterial activity, the flavone moiety is almost planar. The isoxazole and aminophenyl rings are also planar and make dihedral angles of 77.0 (2) and 81.4 (1)°, respectively, with the best plane of the flavone ring system. The crystal structure is stabilized by intra‐ and intermolecular hydrogen bonds. 相似文献
9.
2‐Formylchromones and 3‐formylchromones as the first materials singly reacted with 2‐amino‐5‐mercapto‐1,3,4‐thiadiazole to give the corresponding Schiff bases, which on cyclocondensation with mercapto‐acetic acid in 1,4‐dioxane yielded target compounds named 4‐oxo‐thiazolidines. The structures of all the synthetic compounds were confirmed by elemental analysis and IR, 1H NMR, LC‐MS (ESI) spectral data. 相似文献
10.
Hartmut Fuess Michaela Schwarz Erich F. Paulus Jens Hartung Ingrid Svoboda 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(7):o386-o388
The title compound, C20H18ClNOS2, is a thiazole‐derived thiohydroxamic acid O‐ester. The value of Z′ is 3 and the asymmetric unit comprises three molecules of identical helicity along the N—O bond. Two of these show an anti and the third a syn arrangement of substituents attached in positions 3 and 4 to the 1,3‐thiazole nucleus. 相似文献
11.
R. A. Ahmed M. M. Kandeel M. S. Abbady M. S. K. Youssef 《Journal of heterocyclic chemistry》2002,39(2):309-314
2‐Amino‐6‐(3‐methyl‐5‐oxo‐1‐phenyl‐2‐pyrazolin‐4‐yl)‐4‐phenylpyridine‐3‐carbonitrile (1) obtained by the reaction of 4‐(1‐iminoethyl)‐3‐methyl‐1‐phenyl‐2‐pyrazolin‐5‐one with benzylidenemalononitrile, was reacted with triethyl orthoformate followed by hydrazine hydrate, acetic anhydride, acetyl chloride, alkyl halides, benzoyl chloride, sulphuric acid followed by formamide, phenyl isothiocyanate, carbon disulphide followed by ethyl iodide, formamide, trichloroacetonitrile, nitrous acid, giving new oxopyrazolinylpyridines ( 2,3,5,6,8,9,10 ) and related pyridopyrimidines ( 11‐17 ) and pyridotriazine ( 18 ). 相似文献
12.
S. Shanmuga Sundara Raj Ibrahim Abdul Razak Hoong‐Kun Fun Shyamaprosad Goswami Reshmi Mukherjee Avijit Adak 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e302-e303
In the title compound, C11H12BrN5O2, the rings in the pterin moiety are planar. The carbonyl O atom is in a synperiplanar conformation, while the C—N—C(=O)—C linkage is antiperiplanar. N—H?N and N—H?O intermolecular hydrogen bonds transform the molecules into infinite chains. 相似文献
13.
4‐(5‐oxo‐1,2,4‐triazol‐3‐yl)‐sydnones 11 and 4‐(4‐arylamino‐5‐oxo‐1,2,4‐triazol‐3‐yl)‐sydnones 13 have been obtained from a‐chloroformylarylhydrazine hydrochloride 2 . Moreover, the intermediates, including 3, 4 , 9 and 10 , in this study are synthetically informative and valuable. It is also noteworthy that three reactants, 1, 2 and sydnonecarbaldehydes, were prepared from sydnone derivatives and their fragments. The oxidative cyclizations of sydnonecarbaldehyde semicarbazones 9 and carbazones 10 with two different oxidizing agents (Cu(ClO4)2 and Fe(ClO4)3) have been extensively examined. The reaction time and the yields of cyclizations were affected by the substituents of semicarbazones 9 and carbazones 10. 相似文献
14.
Vladimir V. Kouznetsov Diego F. Amado Ali Bahsas Juan Amaro‐Luis 《Journal of heterocyclic chemistry》2006,43(2):447-452
New αω‐bis‐(2‐hetaryl‐4‐oxothiazolidin‐3‐yl)alkanes were prepared via a common two step procedure using N,N‐bis‐hetarylidenamines condensation with α‐mercaptoacetic acid. The used bis‐aldimines were obtained from reaction between ethylenediamine or putrescine and benzaldehyde or the isomeric pyridinecarboxyaldehydes. The bis‐(2‐phenyl‐4‐oxothiazolidin‐3‐yl)alkanes were prepared by one‐pot three component reaction of diamine, aldehyde and α‐mercaptoacetic acid under very mild conditions. 相似文献
15.
Anne A. Emmanuel‐Giota Konstantina C. Fylaktakidou Konstantinos E. Litinas Demetrios N. Nicolaides Dimitra J. Hadjipavlou‐Litina 《Journal of heterocyclic chemistry》2001,38(3):717-722
A series of novel 3‐(coumarin‐4‐yl)tetrahydroisoxazoles 5a,b, 7, 9 and 3‐(coumarin‐4‐yl)dihydropyra‐zoles 13a‐d, 14,15a,b were synthesized from coumarin‐4‐carboxaldehyde 1 via the intermediate N‐methyl nitrone 3 and N‐phenyl or N‐methyl hydrazones 11a,b . These coumarin derivatives were isolated, characterized and evaluated in vitro for their ability to inhibit trypsin, β‐glucuronidase, soybean lipoxygenase and to interact with the stable radical 1,1‐diphenyl‐2‐picrylhydrazyl. The compounds were tested in vivo as anti‐inflammatory agents in the rat carrageenin paw edema assay. Compound 15a seems to be a lead molecule to be modified in order to improve the lipoxygenase inhibition. The results are discussed in terms of structural characteristics. 相似文献
16.
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
17.
18.
Kamlakar Avasthi Chandralata Bal Ashoke Sharon Prakas R. Maulik 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):o494-o495
The molecular structure of the title compound, C17H20N4OS2, does not show any intramolecular aromatic π–π interactions, but the crystal packing reveals the presence of intermolecular C—H...O and C—H...π interactions. The C—H...O interactions generate chains of molecules that are linked into sheets by C—H...π interactions about inversion centres. 相似文献
19.
Vladimir N. Nesterov Elena A. Viltchinskaia 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(5):616-618
The structures of the title compounds, C15H13N3O4, (I), and C16H15N3O5 [IUPAC name: ethyl 6‐amino‐5‐cyano‐2‐methyl‐4‐(3‐nitrophenyl)‐4H‐pyrano‐3‐carboxylate], (II), are very similar, with the heterocyclic rings adopting boat conformations. The pseudo‐axial m‐nitrophenyl substituents are rotated by 84.0 (1) and 98.7 (1)° in (I) and (II), respectively, with respect to the four coplanar atoms of the boat. The dihedral angles between the phenyl rings and nitro groups are 12.1 (2) and 8.4 (2)° in (I) and (II), respectively. The two compounds have similar patterns of intermolecular N—H?O and N—H?N hydrogen bonding, which link molecules into infinite tapes along b . 相似文献
20.
Necmi Dege Hasan Ibudak Elif Adyaman 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):m13-m15
In the crystal structure of the title compound [systematic name: diaquabis(6‐methyl‐2,2‐dioxo‐1,2,3‐oxathiazin‐4‐olato‐κO4)bis(3‐methylpyridine‐κN)nickel(II)], [Ni(C4H4NO4S)2(C6H7N)2(H2O)2], the NiII centre resides on a centre of symmetry and has a distorted octahedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans‐oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octahedron are occupied by two N atoms of two trans pyridine ligands. Molecules are stacked in columns running along the a axis. There are π–π stacking interactions between the molecules in each column, with a distance of 3.623 (2) Å between the centroids of the pyridine rings. There are also O—H⋯O interactions between the columns. 相似文献