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cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene

The asymmetric unit of the title compound, C(23)H(22)N(2)O(2), contains two independent mol­ecules, A and B. The cyclo­hexane ring of mol­ecule B is disordered, with occupancies for the major and minor conformers of 0.570 (9) and 0.430 (9), respectively. The cyclo­hexane ring adopts a boat conformat...

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Autores principales: Kamala, E. Theboral Sugi, Nirmala, S., Sudha, L., Ramesh, E., Raghunathan, R.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915303/
https://www.ncbi.nlm.nih.gov/pubmed/21200811
http://dx.doi.org/10.1107/S1600536807065348
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author Kamala, E. Theboral Sugi
Nirmala, S.
Sudha, L.
Ramesh, E.
Raghunathan, R.
author_facet Kamala, E. Theboral Sugi
Nirmala, S.
Sudha, L.
Ramesh, E.
Raghunathan, R.
author_sort Kamala, E. Theboral Sugi
collection PubMed
description The asymmetric unit of the title compound, C(23)H(22)N(2)O(2), contains two independent mol­ecules, A and B. The cyclo­hexane ring of mol­ecule B is disordered, with occupancies for the major and minor conformers of 0.570 (9) and 0.430 (9), respectively. The cyclo­hexane ring adopts a boat conformation in mol­ecule A and in the major conformer of mol­ecule B, and a chair conformation in the minor conformer of mol­ecule B. In both independent mol­ecules, one of the dihydro­pyran rings adopts a boat conformation while the other is in a half-chair conformation. The dihedral angle between the pyrazole and phenyl rings is 16.0 (1)° in mol­ecule A and 12.9 (1)° in mol­ecule B. The crystal packing is stabilized by C—H⋯O and C—H⋯N inter­molecular hydrogen bonds.
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spelling pubmed-29153032010-12-30 cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene Kamala, E. Theboral Sugi Nirmala, S. Sudha, L. Ramesh, E. Raghunathan, R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(23)H(22)N(2)O(2), contains two independent mol­ecules, A and B. The cyclo­hexane ring of mol­ecule B is disordered, with occupancies for the major and minor conformers of 0.570 (9) and 0.430 (9), respectively. The cyclo­hexane ring adopts a boat conformation in mol­ecule A and in the major conformer of mol­ecule B, and a chair conformation in the minor conformer of mol­ecule B. In both independent mol­ecules, one of the dihydro­pyran rings adopts a boat conformation while the other is in a half-chair conformation. The dihedral angle between the pyrazole and phenyl rings is 16.0 (1)° in mol­ecule A and 12.9 (1)° in mol­ecule B. The crystal packing is stabilized by C—H⋯O and C—H⋯N inter­molecular hydrogen bonds. International Union of Crystallography 2007-12-12 /pmc/articles/PMC2915303/ /pubmed/21200811 http://dx.doi.org/10.1107/S1600536807065348 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Kamala, E. Theboral Sugi
Nirmala, S.
Sudha, L.
Ramesh, E.
Raghunathan, R.
cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene
title cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene
title_full cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene
title_fullStr cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene
title_full_unstemmed cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene
title_short cis-3-Methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1H,3bH-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene
title_sort cis-3-methyl-1-phenyl-8a,9,10,11,12,12a,12b-hexa­hydro-1h,3bh-pyrazolo[3,4:2′,3′]pyrano[4′,5′,6′-kl]xanthene
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915303/
https://www.ncbi.nlm.nih.gov/pubmed/21200811
http://dx.doi.org/10.1107/S1600536807065348
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