Search Results - "Rajni Swamy, V"
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Crystal structure of [4-(2-meth-oxy-phen-yl)-3-methyl-1-phenyl-6-tri-fluoro-methyl-1H-pyrazolo-[3,4-b]pyridin-5-yl](thio-phen-2-yl)methanone
Published in Acta crystallographica. Section E, Structure reports online (01-09-2014)“…The title compound, C26H18F3N3O2S, a 2-meth-oxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays…”
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5-Benzoyl-2-(1 H -indol-3-yl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydrofuran-3-carbonitrile
Published in Acta crystallographica. Section E, Structure reports online (01-12-2012)“…In the title compound, C29H24N2O2, the hydrofuran ring is twisted with puckering parameters Q = 0.1553 (16) Å and ϕ =…”
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Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile
Published in Acta crystallographica. Section E, Crystallographic communications (01-09-2015)“…In the title compound, C 24 H 17 NO 2 , the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O—C—C—O torsion…”
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Coordinated compliance of chloro-methyl and bromo-methyl exchange rule in two dihydrofuran carbonitrile derivatives
Published in Journal of molecular structure (15-03-2021)“…•The crystal structure of two dihydrofuran carbonitrile derivatives were elucidated by single crystal XRD method.•Besides being Isomorphous and isostructural,…”
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2-Amino-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene-1,3-dicarbonitrile
Published in Acta crystallographica. Section E, Structure reports online (01-09-2012)“…In the title compound, C20H18ClN3, the cyclooctene ring exhibits conformational disorder of two methylene groups with a site-occupation factor of…”
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Isomorphous methyl- and chloro-substituted small heterocyclic analogues obeying the chlorine-methyl (Cl-Me) exchange rule
Published in Acta crystallographica. Section C, Crystal structure communications (01-04-2013)“…The two new isomorphous structures [3‐methyl‐4‐(4‐methylphenyl)‐1‐phenyl‐6‐trifluoromethyl‐1H‐pyrazolo[3,4‐b]pyridin‐5‐yl](thiophen‐2‐yl)methanone,…”
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Crystal structure of 5-benzoyl-2,4-di-phenyl-4,5-di-hydro-furan-3-carbo-nitrile
Published in Acta crystallographica. Section E, Crystallographic communications (01-09-2015)“…In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O-C-C-O torsion angle…”
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Crystal structure determination, hirshfeld surface analysis and quantum computational studies of (3E,5E)-1-ethyl-3,5-bis (naphthalen-1-yl-methylidene) piperidin-4-one: A novel RORc inhibitor
Published in Journal of molecular structure (05-02-2021)“…•Exploring piperidone derivative as novel RORc inhibitor.•The crystal packing is stabilized by conventional C—H…O hydrogen bonds.•Hirshfeld surfaces validates…”
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8-(2-Chlorophenyl)-1-(4-chlorophenyl)-4-[( E )-(2-chlorophenyl)methylidene]-6-methyl-4,5,6,7,7a,8-hexahydro-1,2,4-oxadiazolo[5,4- d ]pyrido[3,4- c ][1,5]benzothiazepine
Published in Acta crystallographica. Section E, Structure reports online (01-05-2010)“…In the title compound, C33H26Cl3N3OS, the oxadiazole, piperidine and benzothiapezine rings adopt envelope, chair and twist-boat conformations, respectively. In…”
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5-Benzoyl-2-(1H-indol-3-yl)-4-[4-(propan-2-yl)phen-yl]-4,5-dihydro-furan-3-carbonitrile
Published in Acta crystallographica. Section E, Structure reports online (01-12-2012)“…In the title compound, C29H24N2O2, the hydrofuran ring is twisted with puckering parameters Q = 0.1553 (16) Å and ϕ = 305.0 (6)°. In the crystal, the graph-set…”
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5-(4-Fluoro-benzyl-idene)-4'-(4-fluoro-phen-yl)-1,1'-dimethyl-dispiro-[piperidine-3,3'-pyrrolidine-2',3''-indoline]-4,2''-dione
Published in Acta crystallographica. Section E, Structure reports online (01-10-2012)“…The asymmetric unit of the title compound, C(30)H(27)F(2)N(3)O(2), contains two independent mol-ecules. The pyrrolidine five-membered ring assumes an envelope…”
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2-Amino-4-(4-chloro-phen-yl)-5,6,7,8,9,10-hexa-hydro-benzo[8]annulene-1,3-dicarbonitrile
Published in Acta crystallographica. Section E, Structure reports online (01-09-2012)“…In the title compound, C(20)H(18)ClN(3), the cyclo-octene ring exhibits conformational disorder of two methyl-ene groups with a site-occupation factor of 0.859…”
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8-(2-Chloro-phen-yl)-1-(4-chloro-phen-yl)-4-[(E)-(2-chloro-phen-yl)methyl-idene]-6-methyl-4,5,6,7,7a,8-hexa-hydro-1,2,4-oxadiazolo[5,4-d]pyrido[3,4-c][1,5]benzothia-zepine
Published in Acta crystallographica. Section E, Structure reports online (21-04-2010)“…In the title compound, C(33)H(26)Cl(3)N(3)OS, the oxadiazole, piperidine and benzothia-pezine rings adopt envelope, chair and twist-boat conformations,…”
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5-(4-Fluorobenzylidene)-4 #8242;-(4-fluorophenyl)-1,1 #8242;-dimethyldispiro[piperidine-3,3 #8242;-pyrrolidine-2 #8242;,3 #8242; #8242;-indoline]-4,2 #8242; #8242;-dione
Published in Acta crystallographica. Section E, Structure reports online (01-10-2012)“…The asymmetric unit of the title compound, C30H27F2N3O2, contains two independent molecules. The pyrrolidine five-membered ring assumes an envelope…”
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