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Diethyl 4-(6-Chloroimidazo[2,1-b]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate and Ethyl 4-(6-Chloroimidazo[2,1-b]thiazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate  [PDF]
Rita Morigi,Alessandra Locatelli,Mirella Rambaldi,Alessandro Consorti,Alberto Leoni
Molbank , 2012, DOI: 10.3390/M787
Abstract: Diethyl 4-(6-chloroimidazo[2,1- b]thiazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxylate and ethyl 4-(6-chloroimidazo[2,1- b]thiazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate were obtained simultaneously by the Biginelli reaction using a green protocol and curtailing reaction time.
Synthesis of nitrogen heterocycles from ethyl 3-(6-dibenzothiophen-2-yl-pyridazin-3-ylamino)-3-oxopropanoate  [cached]
Mohamed Sayed Behalo,Aly Abdelmaboud Aly
European Journal of Chemistry , 2011, DOI: 10.5155/eurjchem.2.3.295-299.376
Abstract: An efficient synthesis of nitrogen-containing heterocycles pyrazole, triazole, pyridinone and pyrimidinone derivatives from ethyl 3-(6-dibenzothiophen-2-yl-pyridazin-3-ylamino)-3-oxopropanoate (2) was described. The structures of all products were confirmed and characterized by the elemental analysis and spectroscopic studies (IR, MS, 1H NMR, 13C NMR).
4-(Morpholin-4-yl)-3-(trifluoromethyl)benzonitrile  [cached]
Hoong-Kun Fun,Safra Izuani Jama Asik,Rajesha Kumar,Arun M. Isloor
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811020666
Abstract: In the title benzonitrile compound, C12H11F3N2O, an intramolecular C—H...F hydrogen bond generates an S(7) ring motif. The trifluoromethyl group is disordered over two orientations with a refined occupancy ratio of 0.549 (16):0.451 (16). The morpholine ring adopts a chair conformation. The benzene ring and mean plane of the morpholine ring make a dihedral angle of 58.04 (10)° with each other. In the crystal, molecules are connected by intermolecular C—H...F and C—H...O interactions to form R22(8) ring motifs. These interactions also link the molecules into chains parallel to the [10overline{1}] direction.
Bis[μ-3-(1H-pyrazol-1-yl)benzonitrile-κ2N:N′]bis[perchloratosilver(I)]  [cached]
Cao-Yuan Niu,Hai-Yan Zhang,Cao-Ling Feng,Xin-Sheng Wan
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808030602
Abstract: In the title centrosymmetric complex, [Ag2(ClO4)2(C10H7N3)2], the unique AgI ion is coordinated by an N atom from a carbonitrile group, an N atom from a symmetry-related pyrazole group and an O atom of a perchlorate ligand to form a distorted T-shaped environment. Two 3-(1H-pyrazol-1-yl)benzonitrile ligands each bridge two AgI ions to form a dinuclear complex. In the crystal structure, there are weak Ag...O interactions within the range 2.70–3.01 linking dimeric units into layers approximately parallel to (100). The O atoms of the perchlorate ligand are disordered over two sites with occupancies of 0.570 (11) and 0.430 (11), respectively.
4-[(2H-Tetrazol-2-yl)methyl]benzonitrile
Zheng Xing,Zhi-Rong Qu
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808000809
Abstract: The title compound, C9H7N5, was synthesized by reaction of 4-(bromomethyl)benzonitrile and 2H-tetrazole in the presence of KOH. The relative orientation of the planar tetrazole ring and the methylbenzonitrile moiety is ( )-anticlinal. The crystal packing is dominated by van der Waals interactions.
2-(1H-Tetrazol-5-yl)benzonitrile
Zheng Xing,Guang-Fan Han,Wei-Feng Zhu,Yu-Yuan Zhao
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808008027
Abstract: The title compound, C8H5N5, was synthesized from phthalonitrile. The benzonitrile and tetrazole rings are inclined at a dihedral angle of 37.14 (11)°. In the crystal structure, intermolecular N—H...N hydrogen bonds link the tetrazole rings of adjacent molecules, forming chains along the a axis.
Synthesis of a New Scaffold: the 7H,8H-Pyrimido[1,6-b]pyridazin-6,8-dione Nucleus  [PDF]
Franciszek Herold,Ma?gorzata Ka?ucka,Marek Król,Joanna Herold,Jerzy Kleps,Jadwiga Tur?o
Molecules , 2007, DOI: 10.3390/12122643
Abstract: This paper describes a modified method of preparation of a number of α-aryl-α-(pyridazin-3-yl)-acetonitriles via the C-arylation reaction of the corresponding carbanionsof phenylacetonitriles using 3-chloropyridazine derivatives. KOH and DMSO were used inthe deprotonation process, which made the reaction very simple and safe to perform.Nitriles were obtained in the hydrolysis reaction to the corresponding α-aryl-α-(pyridazin-3-yl)-acetamide derivatives, which were next subjected to cyclization to afford the finalproducts. A number of new derivatives of 7H,8H-pyrimido[1,6-b]pyridazin-6,8-dione weresynthesized in the cyclocondensation reaction of respective α-aryl-α-(pyridazin-3-yl)-acetamides with diethyl carbonate in the presence of EtONa. The structure andcomposition of the new compounds were confirmed by IR, 1H- and 13C- NMR analysesand by elemental C, H and N analysis.
Azido(benzonitrile-κN)[hydridotris(pyrazol-1-yl-κN2)borato](triphenylphosphine-κP)ruthenium(II)
Chiung-Cheng Huang,Han-Gung Chen,Yih Hsing Lo,Wen-Rong Lai
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810021513
Abstract: Facile ligand substitution is observed when the ruthenium–azide complex, [RuN3(Tp)(PPh3)2] [Tp,HB(pz)3, pz = pyrazolyl, PPh3 = triphenylphosphine] is treated with benzonitrile, yielding the title compound, [Ru(C9H10BN6)(N3)(C7H5N)(C18H15P)]. The asymmetric unit contains two crystallographically independent molecules. In each one, the RuII atom is six-coordinated in a distorted octahedral geometry by five N atoms from an htpb ligand, an azide ligand and a benzonitrile ligand and one P atom from a triphenylphosphine (tpp) ligand. The azide group is almost linear and is coordinated to Ru with an average Ru—N—N angle of 124.9 (3)°.
4-[5-Amino-4-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-pyrazol-1-yl]benzonitrile  [cached]
Bassam Abu Thaher,Pierre Koch,Dieter Schollmeyer,Stefan Laufer
Acta Crystallographica Section E , 2012, DOI: 10.1107/s160053681200877x
Abstract: In the crystal structure of the title compound, C21H14FN5, the pyrazole ring forms dihedral angles of 38.0 (1), 40.0 (1) and 28.5 (1)° with the directly attached 4-fluorophenyl, pyridine and benzonitrile rings, respectively. The crystal packing is characterized by N—H...N hydrogen bonds, which result in a two-dimensional network parallel to the ac-plane.
4-{2-[5-(4-Chlorophenyl)-1-(4-fluorophenyl)-1H-pyrazol-3-yl]thiazol-4-yl}benzonitrile
Tara Shahani,Hoong-Kun Fun,R. Venkat Ragavan,V. Vijayakumar
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810031405
Abstract: The asymmetric unit of the title compound, C25H14ClFN4S, contains two independent molecules (A and B). Each molecule consists of five rings, namely chlorophenyl, fluorophenyl, 1H-pyrazole, thiazole and benzonitrile. In molecule A, the 1H-pyrazole ring makes dihedral angles of 52.54 (8), 35.96 (8) and 15.43 (8)° with respect to the attached chlorophenyl, fluorophenyl and thiazole rings. The corresponding values in molecule B are 51.65 (8), 37.26 (8) and 8.32 (8)°. In the crystal, molecules are linked into dimers by C—H...N hydrogen bonds, generating R22(10) ring motifs. These dimers are further linked into two-dimensional arrays parallel to the ab plane via intermolecular weak C—H...N and C—H...F hydrogen bonds. The crystal structure is further stabilized by weak π-π interactions [with centroid–centroid distances of 3.4303 (9) and 3.6826 (9) ] and weak C—H...π interactions.
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