Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate
In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl ring...
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International Union of Crystallography
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doaj-3a77d292d26f4d60beda006db75522462020-11-25T01:27:09ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-12-017012o1295o129610.1107/S160053681402515Xsu5015Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylateEswar Kumar Nadendla0G. Jagadeesan1D. Kannan2Mannickam Bakthadoss3K. Gunasekaran4Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, IndiaDepartment of Physics, Presidency College, Chennai 600 005, IndiaDepartment of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, IndiaDepartment of Organic Chemistry, University of Madras, Guindy Campus, Chennai 600 025, IndiaCentre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, IndiaIn the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41 (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59 (11) and 70.09 (9)°, respectively. There is an intramolecular C—H...π interaction involving the tosylate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, molecules are linked by C—H...π interactions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π–π interactions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014). Eur. J. Org. Chem. pp. 1505–1513].http://scripts.iucr.org/cgi-bin/paper?S160053681402515Xcrystal structuresulfonamideC—H...π interactionsThrope–Ingold effect |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Eswar Kumar Nadendla G. Jagadeesan D. Kannan Mannickam Bakthadoss K. Gunasekaran |
spellingShingle |
Eswar Kumar Nadendla G. Jagadeesan D. Kannan Mannickam Bakthadoss K. Gunasekaran Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate Acta Crystallographica Section E crystal structure sulfonamide C—H...π interactions Thrope–Ingold effect |
author_facet |
Eswar Kumar Nadendla G. Jagadeesan D. Kannan Mannickam Bakthadoss K. Gunasekaran |
author_sort |
Eswar Kumar Nadendla |
title |
Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate |
title_short |
Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate |
title_full |
Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate |
title_fullStr |
Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate |
title_full_unstemmed |
Crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5H)-carboxylate |
title_sort |
crystal structure of methyl 1-methyl-3,5-diphenyl-7-tosyl-3,6,7,11b-tetrahydropyrazolo[4′,3′:5,6]pyrano[3,4-c]quinoline-5a(5h)-carboxylate |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2014-12-01 |
description |
In the title compound, C35H31N3O5S, the piperidine ring adopts an envelope conformation, with the methine C atom as the flap, and the pyran ring adopts a sofa conformation. The mean planes of these two rings are almost normal to one another, making a dihedral angle of 85.96 (5)°. The two phenyl rings, one attached to the pyrazole ring and the other to the pyran ring, are inclined to one another by 65.41 (11)°. They are inclined to the mean planes of the rings to which they are attached by 12.59 (11) and 70.09 (9)°, respectively. There is an intramolecular C—H...π interaction involving the tosylate methyl group and the phenyl ring attached to the pyrazole ring. In the crystal, molecules are linked by C—H...π interactions, forming ribbons parallel to (10-2). The ribbons are linked by slipped parallel π–π interactions involving inversion-related pyrazole rings [inter-centroid distance = 3.672 (2) Å], forming slabs parallel to (001). A preliminary report of this structure has been published [Bakthadoss et al. (2014). Eur. J. Org. Chem. pp. 1505–1513]. |
topic |
crystal structure sulfonamide C—H...π interactions Thrope–Ingold effect |
url |
http://scripts.iucr.org/cgi-bin/paper?S160053681402515X |
work_keys_str_mv |
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