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5-Chloro-2-methylsulfonyl-1,2,4-triazolo[1,5-a]quinazoline  [cached]
Rashad Al-Salahi,Mohamed Al-Omar,Mohamed Marzouk,Seik Weng Ng
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812021770
Abstract: The triazoloquinazole fused-ring system of the title compound, C10H7ClN4O2S, is essentially planar (r.m.s. deviation = 0.009 ). In the methylsulfonyl substituent, the two S—O bonds are of equal length [1.402 (2) ]. In the crystal, adjacent molecules interact weakly through Cl...N contacts [ca 3.197 (2) ].
1-(2-Methoxyethoxy)-4-nitrobenzene  [cached]
Yang Liu,Wei-Na Xu,Xiao-Ling Zhang,Jian-Ping Ma
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536807061636
Abstract: The title compound, C9H11NO4, is an intermediate for dyes and drugs. The O—C—C—O chain adopts a synclinal conformation. The crystal structure is stabilized by C—H...O hydrogen bonds.
(Z)-3-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-2-tosylprop-2-en-1-one  [cached]
S. Murugavel,P. S. Kannan,A. SubbiahPandi,Ramalingam Murugan
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808034028
Abstract: In the title compound, C23H19FO5S2, two of the phenyl ring C atoms and a sulfonyl O atom of the phenyl(methylsulfonyl) group are disordered over two positions with occupancies 0.522 (17):0.478 (17). The methylphenyl and fluorophenyl rings are essentially planar, with maximum deviations of 0.0059 (8) and 0.0047 (9) , respectively. The crystal packing is stabilized by C—H...F interactions.
1-(1H-Benzimidazol-2-yl)-4-nitrobenzene dimethylformamide solvate  [cached]
De-Hong Wu
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809005315
Abstract: In the title compound, C13H9N3O2·C3H7NO, the benzimidazole ring system and the benzene ring are essentially coplanar, forming a dihedral angle of 0.86 (5)°. The crystal packing is stabilized by an intermolecular N—H...O hydrogen bond and a π–π stacking interaction with a centroid–centroid separation of 3.685 (4) .
1-[2-(2-Bromophenyl)ethyl]-4-chloro-2-nitrobenzene
Jerry P. Jasinski,Ray J. Butcher,M. S. Siddegowda,H. S. Yathirajan
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810049226
Abstract: In the title molecule, C14H11BrClNO2, the dihedral angle between the mean planes of the bromo-substitued benzene and the chloro-substituted benzene rings is 1.8 (4) °. The nitro group is twisted by 15.8 (6)° from the mean plane of the benzene ring to which it is attached. The crystal packing is influenced by weak intermolecular C—H...O interactions and weak π–π stacking interactions [centroid–centroid distances = 3.903 (2), 3.596 (2) and 3.903 (2) ].
1,3-Dimethyl-5-methylsulfonyl-1H-pyrazolo[4,3-e][1,2,4]triazine
Mariusz Mojzych,Zbigniew Karczmarzyk,Waldemar Wysocki
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810047264
Abstract: In the title compound, C7H9N5O2S, the pyrazolo[4,3-e][1,2,4]triazine fused-ring system is essentially planar [maximum deviation = 0.0420 (3) ]. In the crystal, molecules related by twofold axes are linked into a molecular net via intermolecular C—H...O and C—H...N hydrogen bonds. π–π interactions are observed between the triazine and pyrazole rings of molecules related by the the twofold axis and inversion symmetry with centroid–centroid distances of 3.778 (3) and 3.416 (3) , respectively.
1-(3,3-Dichloroallyloxy)-4-methyl-2-nitrobenzene  [cached]
Dong-mei Ren
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812023057
Abstract: In the title compound, C10H9Cl2NO3, the dihedral angle between the benzene ring and the plane of the nitro group is 39.1 (1)°, while that between the benzene ring and the plane through the three C and two Cl atoms of the dichloroallyloxy unit is 40.1 (1)°. In the crystal, C—H...O hydrogen bonds to the nitro groups form chains along the b axis. These chains are linked by inversion-related pairs of Cl...O interactions at a distance of 3.060 (3) , forming sheets approximately parallel to [-201] and generating R22(18) rings. π–π contacts between benzene rings in adjacent sheets, with centroid–centroid distances of 3.671 (2) , stack molecules along c.
2-Methylsulfonyl-1,2,4-triazolo[1,5-a]quinazolin-5(4H)-one  [cached]
Rashad Al-Salahi,Mohamed Marzouk,Mohammed Abbas,Seik Weng Ng
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812021769
Abstract: The triazoloquinazoline fused-ring system of the title compound, C10H8N4O3S, is essentially planar (r.m.s. deviation = 0.027 ). In the crystal, adjacent molecules are linked by N—H...Osulfonyl hydrogen bonds, generating a helical chain running along the b axis.
Isolation of a Yellowish Antibiotic Pigment 4-hydroxy Nitrobenzene from a Strain of Streptomyces  [PDF]
Zakia Sultana Sathi,Naoki Sugimoto,Md. Ibrahim Khalil,M. A. Gafur
Pakistan Journal of Biological Sciences , 2002,
Abstract: Chloroform extract of the culture filtrate of Streptomyces sp. and chromatographic analysis has lead to the isolation of an antimicrobial compound. The structure of the compound was identified as 4-hydroxy nitrobenzene from its IR, UV, 1H-NMR, 13C-NMR, EIMS, HMBC, HMQC data. This is the first report of isolation of 4-hydroxy nitrobenzene from natural sources.
[4-(Methylsulfonyl)phenyl]acetic acid  [cached]
Yan-Qin Yuan,Sheng-Rong Guo,Li-Jin Wang
Acta Crystallographica Section E , 2008, DOI: 10.1107/s160053680803660x
Abstract: In the crystal structure of the title compound, C9H10O4S, centrosymmetrically related molecules are linked into dimers by intermolecular O—H...O hydrogen bonds. Unconventional C—H...O hydrogen-bond interactions are also present, connecting dimers into a three-dimensional network.
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