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{4-Dimethylamino-N′-[1-(2-oxidophenyl)ethylidene]benzohydrazidato}(methanolato)oxidovanadium(V)
Chen-Yi Wang,Juan-Juan Hu,Hai-Yu Tu,Pei-Fei Zhu
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811050173
Abstract: The title oxidovanadium(V) complex, [V(C17H17N3O2)(CH3O)O], was obtained by the reaction of 2-acetylphenol, 4-dimethylaminobenzohydrazide and vanadyl sulfate in methanol. The VV atom is five-coordinated by N,O,O′-donor atoms of the Schiff base ligand, one methoxy O atom and one oxide O atom, forming a square-pyramidal geometry.
2-[(Dimethylamino)methylidene]propanedinitrile  [cached]
Rajni Kant,Vivek K. Gupta,Kamini Kapoor,D. R. Patil
Acta Crystallographica Section E , 2013, DOI: 10.1107/s1600536813004960
Abstract: In the title moleclue, C6H7N3, the mean plane of the dimethylamino group [maximum deviation = 0.006 (2) ] forms a dihedral angle of 7.95 (18)° with the mean plane of the propanedinitrile fragment [maximum deviation = 0.008 (2) ]. In the crystal, weak C—H...N hydrogen bonds link the molecules into a three-dimensional network.
Chloridobis{2-[(dimethylamino)methyl]phenyl}antimony(III)
Marian Olaru,Sorin Roşca,Ciprian I. Raţ,Cristian Silvestru
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809041890
Abstract: In the title compound, [Sb(C9H12N)2Cl], the Sb atom adopts a Ψ-trigonal-bipyramidal geometry. The two 2-[(dimethylamino)methyl]phenyl ligands are coordinated asymmetrically to the Sb atom. The carbon atoms of one of the ligands are disordered over sets of sites with equal occupancy, resulting in two conformational isomers in the crystal. The Sb—C and Sb—N distances in the ordered ligand are: 2.153 (4) and 3.326 (5) , respectively. The corresponding distances in the disordered ligand are: 2.103 (5)/2.188 (5) and 2.454 (3) , respectively. The structure displays intramolecular C—H...Cl hydrogen bonding.
1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone  [cached]
Hatem A. Abdel-Aziz,Hazem A. Ghabbour,Suchada Chantrapromma,Hoong-Kun Fun
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812019666
Abstract: In the title compound, C14H11FO3S, the unit comprising the ethanone and 4-fluorophenyl groups is essentially planar, with an r.m.s. deviation of 0.0084 (2) for the ten non-H atoms, and it makes a dihedral angle of 37.31 (10)° with the phenyl ring. In the crystal, molecules are linked by pairs of weak C—H...O hydrogen bonds into inversion dimers with R22(16) graph-set motifs. The dimers are stacked along the b axis through further C—H...O hydrogen bonds.
N-(2-Fluorophenyl)cinnamamide
Aamer Saeed,Rasheed Ahmad Khera,Jim Simpson
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810003867
Abstract: The title compound, C15H12FNO, was prepared by the reaction of cinnamoyl chloride with 4-fluoroaniline and crystallizes with two molecules A and B in the asymmetric unit. The two unique molecules are closely similar and overlay with an r.m.s. deviation of 0.0819 . The fluorobenzene and phenyl rings are inclined to one another at 73.89 (7) and 79.46 (7)°, respectively, in molecules A and B. The amide C—N—C(O)—C portions of the molecules are planar (r.m.s. deviations = 0.035 and 0.028 ) and are inclined at 45.51 (9) and 47.71 (9), respectively, to the fluorobenzene rings in molecules A and B. The 2-fluoroacetamide units and the benzene rings each adopt E configurations with respect to the C=C bonds. In the crystal structure, intermolecular N—H...O hydrogen bonds augmented by weak C—H...π interactions link molecules into rows in a head-to-tail fashion along a. Additional weak C—H...O contacts further stabilize the packing, forming a three-dimensional network stacked down a.
1-[2-(Benzylamino)-4-pyridyl]-2-(4-fluorophenyl)ethane-1,2-dione  [cached]
Hartmut Jahns,Pierre Koch,Dieter Schollmeyer,Stefan Laufer
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809019801
Abstract: The crystal structure of the title compound, C20H15FN2O2, contains two crystallographically independent molecules, which are related by a pseudo-inversion center and linked into dimers via intermolecular N—H...N hydrogen bonds. The 4-fluorophenyl ring of molecule A makes dihedral angles of 17.17 (16) and 62.25 (15)°, respectively, with the phenyl and pyridine rings. The 4-fluorophenyl ring of molecule B makes dihedral angles of 8.50 (16) and 64.59 (15)°, respectively, with the phenyl and pyridine rings. The dihedral angle between the pyridine ring and the phenyl ring of molecule A [60.97 (15)°] is bigger than in molecule B [59.49 (15)°]. The dihedral angle between the two pyridine rings is 1.37 (14)° and between the two phenyl rings is 3.64 (16)°.
Diazidobis{2-[3-(dimethylamino)propyliminomethyl]phenol}manganese(III) perchlorate
Gui-Bin Yang,Zhen-Hai Sun
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808023349
Abstract: The title compound, [Mn(N3)2(C12H18N2O)2]ClO4, was synthesized from manganese(III) acetate, sodium azide and 2-[3-(dimethylamino)propyliminomethyl]phenol by a hydrothermal reaction. The MnIII ion is hexacoordinated by two N and two O atoms from two phenolate ligands and two N atoms from two azide ligands. The MnIII cation lies on an inversion centre and, as a result, the asymmetric unit comprises one half-molecule.
2-(4-Fluorophenyl)-1-(phenylsulfinyl)naphtho[2,1-b]furan
Pil Ja Seo,Hong Dae Choi,Byeng Wha Son,Uk Lee
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811034155
Abstract: In the title compound, C24H15FO2S, the 4-fluorophenyl ring makes a dihedral angle of 19.43 (4)° with the mean plane of the naphthofuran fragment. The dihedral angle between the phenyl ring and the mean plane of the naphthofuran fragment is 85.83 (4)°. In the crystal, molecules are linked by weak intermolecular C—H...O hydrogen bonds.
1-(4-Chloro-3-fluorophenyl)-2-[(3-phenylisoquinolin-1-yl)sulfanyl]ethanone
P. Manivel,Venkatesha R. Hathwar,T. Maiyalagan,N. Burcu Arslan
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809001573
Abstract: In the title compound, C23H15ClFNOS, the isoquinoline system and the 4-chloro-3-fluorophenyl ring are aligned at 80.4 (1)°. The dihedral angle between the isoquinoline system and the pendant (unsubstituted) phenyl ring is 19.91 (1)°.
2-(4-Fluorophenyl)-3-methylsulfanyl-5-phenyl-1-benzofuran
Hong Dae Choi,Pil Ja Seo,Byeng Wha Son,Uk Lee
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809041713
Abstract: In the title compound, C21H15FOS, the 4-fluorophenyl ring is rotated out of the benzofuran plane, making a dihedral angle of 24.3 (1)°. The dihedral angle between the phenyl ring and the benzofuran plane is 28.3 (1)°. The crystal structure may be stabilized by two very weak aromatic π–π interactions between the furan and the benzene rings of neighbouring benzofuran systems; the centroid–centroid distances are 3.909 (4) and 4.028 (4) .
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