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

Autor: V, Rajni Swamy, C, Ravikumar

Publikováno v: In Journal of Molecular Structure 5 February 2021 1225

Crystal structure of [4-(2-methoxyphenyl)-3-methyl-1-phenyl-6-trifluoromethyl-1H-pyrazolo[3,4-b]pyridin-5-yl](thiophen-2-yl)methanone

Autor: V. Rajni Swamy, P. Gunasekaran, R. V. Krishnakumar, N. Srinivasan, P. Müller

Publikováno v: Acta Crystallographica Section E, Vol 70, Iss 9, Pp o974-o975 (2014)

The title compound, C26H18F3N3O2S, a 2-methoxy-substituted derivative, is closely related to its 4-methyl- and 4-chloro-substituted analogues and yet displays no structural relationships with them. The thiophene ring is disorder free and the –CF3 g

Externí odkaz: https://doaj.org/article/9098685c8a6345f3b0950b6265a1fe90

5-(4-Fluorobenzylidene)-4′-(4-fluorophenyl)-1,1′-dimethyldispiro[piperidine-3,3′-pyrrolidine-2′,3′′-indoline]-4,2′′-dione

Autor: V. Rajni Swamy, S. Ramaswamy, N. Srinivasan, R. Ranjith Kumar, R.V. Krishnakumar

Publikováno v: Acta Crystallographica Section E, Vol 68, Iss 10, Pp o2839-o2840 (2012)

The asymmetric unit of the title compound, C30H27F2N3O2, contains two independent molecules. The pyrrolidine five-membered ring assumes an envelope conformation (with the CH2 atom at the flap) in one molecule and a twisted conformation in the other o

Externí odkaz: https://doaj.org/article/e0c841a3dfe448bab1dac799e2c0e2d6

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

Autor: V. Rajni Swamy, R. Sudha Periathai, K. Rajagopal, R. V. Krishnakumar, N. Srinivasan

Publikováno v: Acta Crystallographica Section E, Vol 66, Iss 5, Pp o1119-o1119 (2010)

In the title compound, C33H26Cl3N3OS, the oxadiazole, piperidine and benzothiapezine rings adopt envelope, chair and twist-boat conformations, respectively. In the crystal, the molecular aggregation is characterized by chains of centrosymmetrically r

Externí odkaz: https://doaj.org/article/d9d681c3c7854c7da357bfdead3eacb5

Crystal structure of 5-benzoyl-2,4-diphenyl-4,5-dihydrofuran-3-carbonitrile

Autor: S. Sivakumar, V. Rajni Swamy, N. Srinivasan, Raju Ranjith Kumar, R. V. Krishnakumar

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 9, Pp o663-o664 (2015)
Acta Crystallographica Section E: Crystallographic Communications

In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group isciswith respect to the furanyl O atom, and the associated O—C—C—O torsion angle is 4.62 (19)°. The puckering of the dihydrofuran ring is close to twisted (4T5), with

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4083a0f83ab1d753cdb34985556d1ae2
http://scripts.iucr.org/cgi-bin/paper?S2056989015014887