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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, C(35)H(31)N(3)O(5)S, 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 phe...

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Autores principales: Nadendla, Eswar Kumar, Jagadeesan, G., Kannan, D., Bakthadoss, Mannickam, Gunasekaran, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257454/
https://www.ncbi.nlm.nih.gov/pubmed/25553055
http://dx.doi.org/10.1107/S160053681402515X
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author Nadendla, Eswar Kumar
Jagadeesan, G.
Kannan, D.
Bakthadoss, Mannickam
Gunasekaran, K.
author_facet Nadendla, Eswar Kumar
Jagadeesan, G.
Kannan, D.
Bakthadoss, Mannickam
Gunasekaran, K.
author_sort Nadendla, Eswar Kumar
collection PubMed
description In the title compound, C(35)H(31)N(3)O(5)S, 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].
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spelling pubmed-42574542014-12-31 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 Nadendla, Eswar Kumar Jagadeesan, G. Kannan, D. Bakthadoss, Mannickam Gunasekaran, K. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(35)H(31)N(3)O(5)S, 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]. International Union of Crystallography 2014-11-29 /pmc/articles/PMC4257454/ /pubmed/25553055 http://dx.doi.org/10.1107/S160053681402515X Text en © Nadendla et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Nadendla, Eswar Kumar
Jagadeesan, G.
Kannan, D.
Bakthadoss, Mannickam
Gunasekaran, K.
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 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_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_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
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257454/
https://www.ncbi.nlm.nih.gov/pubmed/25553055
http://dx.doi.org/10.1107/S160053681402515X
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