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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Main Authors: Eswar Kumar Nadendla, G. Jagadeesan, D. Kannan, Mannickam Bakthadoss, K. Gunasekaran
Format: Article
Language:English
Published: International Union of Crystallography 2014-12-01
Series:Acta Crystallographica Section E
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S160053681402515X
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spelling 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
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