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Search Results: 1 - 10 of 623874 matches for " M. S. Siddegowda "
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4-(4-Chlorophenyl)piperidin-4-ol
Grzegorz Dutkiewicz,B. P. Siddaraju,H. S. Yathirajan,M. S. Siddegowda
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810004216
Abstract: In the title compound, C11H14ClNO, the piperidine ring adopts a chair conformation: the hydroxyl substituent and the N-bound H atom occupy the axial positions, while the benzene ring occupies the equatorial position. In the crystal, the molecules are linked into a centrosymmetric tetramer through strong O—H...N and weak N—H...O hydrogen bonds; the N and O atoms act as both donor and acceptor for these interactions. The tetramers are further joined by hydrogen bonds into a layer parallel to (100).
Lomefloxacinium picrate
Jerry P. Jasinski,Ray J. Butcher,M. S. Siddegowda,H. S. Yathirajan
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811002534
Abstract: In the cation of the title compound [systematic name: (RS)-4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 2,4,6-trinitrophenolate], C17H20F2N3O3+·C6H2N3O7 , the piperazine ring adopts a slightly distorted chair conformation and contains a protonated N atom. An intramolecular O—H...O hydrogen bond occurs in the cation. The dihedral angles between the mean planes of the six-atom piperazine ring and the 10-atom fused ring system is 43.3 (5)°. The picrate anion interacts with the protonated N atom of an adjacent cation through a bifurcated N—H...(O,O) three-center hydrogen bond. Strong N—H...O hydrogen bonds in concert with weak π–π stacking interactions [centroid–centroid distance = 3.6460 (14) ] dominate the crystal packing, creating a two-dimensional network structure along [011].
Etoricoxibium picrate
Jerry P. Jasinski,Ray J. Butcher,M. S. Siddegowda,H. S. Yathirajan
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536810050993
Abstract: In the cation of the title salt (systematic name: 5-{5-chloro-3-[4-(methylsulfonyl)phenyl]-2-pyridyl}-2-methylpyridinium 2,4,6-trinitrophenolate), C18H16ClN2O2S+·C6H2N3O7 , the mean planes of the two pyridine rings in the bipyridine unit are twisted by 33.9 (2)° with respect to each other. The dihedral angles between the mean planes of the sulfonylbenzene ring and the chloropyridine and methylpyridine rings are 51.2 (0) and 49.3 (9)°, respectively. The picrate anion interacts with the protonated N atom through a bifurcated N—H...(O,O) hydrogen bond, forming an R12(6) ring motif with the N atom from the methylpyridine group of an adjacent cation. N—H...O hydrogen bonds, weak C—H...O and π–π stacking interactions [centroid–centroid distances = 3.8192 (9)and 3.6749 (9)] occur in the crystal packing, creating a two-dimensional network structure along [110].
Cinnarizinium dipicrate
Jerry P. Jasinski,Ray J. Butcher,M. S. Siddegowda,H. S. Yathirajan
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811002674
Abstract: In the cinnarizinium dication of the title compound {systematic name: 1-diphenylmethyl-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine-1,4-diium bis(2,4,6-trinitrophenolate)}, C26H30N22+·2C6H2N3O7 , the piperazine group is protonated at both N atoms and adopts a slightly distorted chair conformation. Strong N—H...Ohydroxy cation–anion hydrogen bonds link the dication and two anions. In the cation, the (2E)-3-phenylprop-2-en-1-yl fragment is disordered over two positions in a ratio of 0.586 (4): 0.414 (4). Two nitro groups in one anion and three in the other one demonstrate rotational disorder. The crystal packing is stabilized by weak intermolecular π–π [centroid–centroid distances = 3.844 (7), 3.677 (9), 3.825 (5), 3.634 (2) and 3.729 (7) ], C—H...π and C—H...O interactions.
Enrofloxacinium picrate
Jerry P. Jasinski,Ray J. Butcher,M. S. Siddegowda,H. S. Yathirajan
Acta Crystallographica Section E , 2011, DOI: 10.1107/s160053681100170x
Abstract: There is one cation–anion pair in the asymmetric unit of the title compound [systematic name: 4-(3-carboxy-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)-1-ethylpiperazin-1-ium 2,4,6-trinitrophenolate], C19H23FN3O3+·C6H2N3O7 . The six-membered piperazine group in the cation adopts a slightly distorted chair conformation and contains a protonated N atom. The dihedral angles between the mean planes of the cyclopropyl and piperazine rings in the cation with the 10-atom ring system of the quinolone group are 48.1 (1) and 69.9 (5)°, respectively. The picrate anion interacts with the protonated N atom of an adjacent cation through a bifurcated N—H...O three-center hydrogen bond, forming an R12(6) ring motif. Furthermore, there is an intramolecular O—H...O hydrogen bond. The dihedral angle between the mean planes of the anion benzene and cation piperizine, quinoline and cyclopropyl rings are 61.3 (6), 31.1 (4) and 70.4 (9)°, respectively. The mean planes of the two o-NO2 and single p-NO2 groups in the picrate anion are twisted by 6.7 (6), 38.3 (9) and 12.8 (7)° with respect to the mean plane of the benzene ring. Strong N—H...O and weak intermolecular C—H...O hydrogen bonds in concert with weak π–π stacking interactions [centroid–centroid distances = 3.5785 (13), 3.7451 (12) and 3.6587 (13) ] dominate the crystal packing.
Levocetirizinium dipicrate
Jerry P. Jasinski,Ray J. Butcher,M. S. Siddegowda,H. S. Yathirajan
Acta Crystallographica Section E , 2010, DOI: 10.1107/s1600536810045733
Abstract: There are two cation–dianion pairs in the asymmetric unit of the title compound, C21H27ClN2O32+·2C6H2N3O7 {systematic name: 1-[2-(carboxymethoxy)ethyl]-4-[(R)-(4-chlorophenyl)phenylmethyl]piperazine-1,4-diium bis(2,4,6-trinitrophenolate)}. The piperazine group in the levocetirizinium cation is protonated at both N atoms. The acetyl end groups form R22(8) hydrogen-bonded motifs with adjacent cations. Each picrate anion interacts with the proponated N atom in the cation through a bifurcated N—H...O hydrogen bond, forming R12(6) ring motifs. Strong and weak intermolecular N—H...O and strong O—H...O hydrogen bonds, and weak π–ring and π–π stacking interactions [centroid–centroid distance = 3.7419 (14) ] dominate the crystal packing, creating a three-dimensional supramolecular structure.
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-(2-Hydroxyethyl)-4-{3-[(E)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazine-1,4-diium bis(3-carboxyprop-2-enoate)
M. S. Siddegowda,Ray J. Butcher,Mehmet Akkurt,H. S. Yathirajan
Acta Crystallographica Section E , 2011, DOI: 10.1107/s160053681102722x
Abstract: In the title salt, C23H27F3N2OS+·2C4H3O4 , a non-merohedral twin [ratio of the twin components = 0.402 (1):0.598 (1)], the –CF3 group is disordered over two sets of sites with occupancy factors in the ratio 0.873 (2):0.127 (2). The dihedral angle between the two outer aromatic rings of the 9H-thioxanthene unit, whose thiopyran ring has a screw-boat conformation, is 33.01 (9)°. The diprotonated piperazine ring adopts a chair conformation. In the crystal, intermolecular O—H...O, N—H...O and C—H...O hydrogen bonds between neighboring molecules form zigzag chains along the a axis and contribute to the stabilization of the packing.
1-(5,5-Dioxido-10H-phenothiazin-10-yl)ethanone
M. S. Siddegowda,Jerry P. Jasinski,James A. Golen,H. S. Yathirajan
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811021854
Abstract: In the title compound, C14H11NO3S, the six-membered thiazine ring fused to two benzene rings adopts a distorted boat conformation. The dihedral angle between the mean planes of the two benzene rings is 45.8 (1)°. The crystal packing is stabilized by weak intermolecular C—H...O interactions.
[3-(5-Hydroxy-5H-dibenzo[a,d]cyclohepten-5-yl)propyl]dimethylammonium 3-carboxyprop-2-enoate
Jerry P. Jasinski,James A. Golen,M. S. Siddegowda,H. S. Yathirajan
Acta Crystallographica Section E , 2011, DOI: 10.1107/s1600536811036257
Abstract: In the cation of the title salt, C20H24NO+·C4H3O4 , the N atom in the dimethylammonium group is protonated. The dihedral angle between the mean planes of the two six-membered rings fused to the cyclohepten-5-yl ring is 54.4 (1)°. An intramolecular O—H...O hydrogen bond occurs in the anion. The crystal packing is stabilized by intermolecular O—H...O and N—H...(O,O) hydrogen bonds and weak C—H...O interactions, forming a two-dimensional network.
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