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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2007
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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. |
format | Text |
id | pubmed-2915303 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2007 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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