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Search Results: 1 - 10 of 3008 matches for " Narsimha Reddy Penthala "
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rac-5-Bromo-N-benzylisatincreatinine ethanol monosolvate
Narsimha Reddy Penthala,Peter A. Crooks
Acta Crystallographica Section E , 2013, DOI: 10.1107/s160053681300038x
Abstract: In the title compound [systematic name: rac-1-benzyl-5-bromo-3-hydroxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)-2,3-dihydro-1H-indol-2-one ethanol monosolvate], C19H17BrN4O3·C2H5OH, which crystallized as a racemate (RR and SS), the isatin ring is almost planar, with an r.m.s. deviations from the mean plane of 0.0276 (14) . The phenyl ring of the benzyl group makes a dihedral angle with the mean plane of the isatin ring of 87.40 (5)° and the dihedral angle between the imidazole and isatin rings is 58.56 (7)°. In the crystal, molecules are linked into two-dimensional pleated-sheet networks in the ac plane formed by O—H...O, N—H...O and O—H...N hydrogen bonds; within these sheets there are R44(10) rings that involve three molecules of the title compound and a single ethanol solvent molecule. In addition, there are π–π interactions between inversion-related benzyl groups, with an interplanar spacing of 3.444 (3) .
rac-N-Benzylisatincreatinine (unknown solvate)
Narsimha Reddy Penthala,Peter A. Crooks
Acta Crystallographica Section E , 2013, DOI: 10.1107/s1600536813000378
Abstract: The title compound, C19H18N4O3 [systematic name: (RS)-1-benzyl-3-hydroxy-3-(2-imino-3-methyl-5-oxoimidazolidin-4-yl)-2,3-dihydro-1H-indol-2-one], was prepared as a racemate (RR and SS) by the aldol condensation of N-benzylisatin with creatinine in the presence of sodium acetate in acetic acid. The r.m.s. deviation of the isatin ring system is 0.033 . The benzyl group is disordered over two orientations, with refined occupancies of 0.847 (7) and 0.153 (7). The dihedral angles between the isatin ring system and the benzene ring (major disorder component) and the imidazole ring are 82.82 (7) and 51.31 (3)°, respectively, In the crystal, molecules are linked into (001) sheets by N—H...O and O—H...N hydrogen bonds, which incorporate R22(9) ring motifs. The crystal was grown from mixed solvents (ethanol, methanol and possibly also ethyl acetate). These solvents are disordered in the crystal and the resulting electron density was found to be uninterpretable. The solvent contribution to the scattering was removed with the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148–155]. The formula mass and density do not take account of the solvent.
(Z)-3-(1-Benzofuran-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
Narsimha Reddy Penthala,Sean Parkin,Peter A. Crooks
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812005831
Abstract: In the title compound, C20H17NO4, the double bond of the acrylonitrile group separating the 1-benzofuran moiety from the 3,4,5-trimethoxyphenyl ring has Z geometry. The 1-benzofuran groups are π–π stacked with inversion-related counterparts such that the furan ring centroid–centroid distance is 3.804 (5) . The dihedral angle between the planes of the trimethoxyphenyl ring and the acrylonitrile group is 24.2 (2)°.
(Z)-3-(1H-Indol-3-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile
Narsimha Reddy Penthala,Sean Parkin,Peter A. Crooks
Acta Crystallographica Section E , 2012, DOI: 10.1107/s1600536812005855
Abstract: In the title compound, C20H18N2O3, the C=C bond of the acrylonitrile group that links the indole and the 3,4,5-trimethoxyphenyl rings has Z geometry, with dihedral angles between the plane of the acrylonitrile unit and the planes of the benzene and indole ring systems of 21.96 (5) and 38.94 (7)°, respectively. The acrylonitrile group is planar (r.m.s. deviation from planarity = 0.037 ). Molecules are linked into head-to-tail chains that propagate along the b-axis direction by bifurcated N—H...O intermolecular hydrogen bonds, which form an R12(5) motif between the indole NH group and the two methoxy O atoms furthest from the nitrile group.
(Z)-2-Amino-5-[2,4-dimethoxy-6-(4-methoxystyryl)benzylidene]-1,3-thiazol-4(5H)-one methanol solvate
Nikhil Reddy Madadi,Thirupathi Reddy Yerram Reddy,Narsimha Reddy Penthala,Sean Parkin
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810018520
Abstract: In the crystal structure of the title compound, C21H20N2O4S·CH3OH, molecules are linked into chains by a series of intermolecular N—H...O, N—H...N and O—H...O hydrogen bonds. The molecular structure shows a double bond with Z geometry, connecting the thiazolone and resveratrol units. The dihedral angle between the thiazolone ring and the nearest dimethoxybenzene ring is 53.02 (7)°.
3-(2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)-5-fluoro-3-hydroxy-1-methylindolin-2-one methanol hemisolvate
Narsimha Reddy Penthala,Thirupathi Reddy Yerram Reddy,Sean Parkin,Peter A. Crooks
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536809043797
Abstract: In the title compound, C13H13FN4O3·0.5CH3OH, molecules are packed in the crystal structure by a series of O—H...N, N—H...O, N—H...F and O—H...O intermolecular hydrogen bonds. The indole and creatinine units make a dihedral angle of 60.80 (4)°.
(Z)-Methyl 4-({3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]-1H-indol-1-yl}methyl)benzoate
Narsimha Reddy Penthala,Thirupathi Reddy Yerram Reddy,Sean Parkin,Peter A. Crooks
Acta Crystallographica Section E , 2009, DOI: 10.1107/s1600536808041020
Abstract: In the title compound, C21H17N3O4, pairs of molecules form a planar[maximum deviation 0.0566 (9) ] centrosymmetric imidazole dimer via two N—H...O hydrogen bonds. These dimeric units are linked by further N—H...O hydrogen bonds between the ester carbonyl group and the imidazolidine ring, formiing chains parallel to the c-axis direction. In addition, there are π–π stacking interactions between the planar imidazole pairs, with an interplanar spacing of 3.301 (2) . There is a double bond with Z geometry connecting the imidazolidine and indole units.
(Z)-Methyl 4-[3-(3-oxoquinuclidin-2-ylidenemethyl)-1H-indol-1-ylmethyl]benzoate
Thirupathi Reddy Yerram Reddy,Narsimha Reddy Penthala,Sean Parkin,Peter A. Crooks
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808030018
Abstract: The title compound, C25H24N2O3 was prepared by the reaction of (Z)-2-(1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one with methyl p-(bromomethyl)benzoate, under phase-transfer catalytic (PTC) conditions using triethylbenzylammonium chloride and 50% w/v aqueous NaOH solution in dichloromethane. The crystal structure indicates the presence of a double bond with Z geometry connecting the azabicyclic and indole groups.
(Z)-4-[3-(3-Oxoquinuclidin-2-ylidenemethyl)-1H-indol-1-ylmethyl]benzonitrile
Thirupathi Reddy Yerram Reddy,Narsimha Reddy Penthala,Sean Parkin,Peter A. Crooks
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808030006
Abstract: The title compound, C24H21N3O, was prepared by the reaction of (Z)-2-(1H-indol-3-ylmethylene)-1-azabicyclo[2.2.2]octan-3-one with α-bromo-p-toluonitrile, under phase-transfer catalytic (PTC) conditions using triethylbenzylammonium chloride and 50% w/v aqueous NaOH solution in dichloromethane. The crystal structure indicates the presence of a double bond with Z geometry connecting the azabicyclic and indole groups.
(Z)-4-[3-(2,5-Dioxoimidazolidin-4-ylidenemethyl)-1H-indol-1-ylmethyl]benzonitrile
Narsimha Reddy Penthala,Thirupathi Reddy Yerram Reddy,Sean Parkin,Peter A. Crooks
Acta Crystallographica Section E , 2008, DOI: 10.1107/s1600536808032601
Abstract: In the title compound, C20H14N4O2, molecules are linked into chains by N—H...O hydrogen bonds, but the cyano group does not participate in the supramolecular aggregation. The crystal structure of the compound indicates the presence of a double bond with Z geometry, connecting the imidazolidine and indole units. The dihedral angle between the imidazole and benzene ring planes is 62.45 (4)°.
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