Molecular structures and conformations of three 3-azabicyclononanes
The structure, conformation, molecular geometry and the mode of packing of 7‐tert‐butyl‐N‐methyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C25H33N; MTABN), N‐acetyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C22H25NO; AABN) and N‐methyl‐2,4‐bis(2‐methylphenyl)‐3‐azabicyclo[3.3.1]nonan‐9‐ol (C23H29NO; MHA...
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| Veröffentlicht in: | Acta crystallographica. Section B, Structural science Structural science, 1999-10, Vol.55 (5), p.793-798 |
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| container_title | Acta crystallographica. Section B, Structural science |
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| creator | Kumaran, D. Ponnuswamy, M. N. Shanmugam, G. Ponnuswamy, S. Jeyaraman, R. Shivakumar, K. Fun, H.-K. |
| description | The structure, conformation, molecular geometry and the mode of packing of 7‐tert‐butyl‐N‐methyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C25H33N; MTABN), N‐acetyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C22H25NO; AABN) and N‐methyl‐2,4‐bis(2‐methylphenyl)‐3‐azabicyclo[3.3.1]nonan‐9‐ol (C23H29NO; MHABN) are presented. The compounds MTABN and MHABN crystallize in monoclinic space groups, whereas AABN is orthorhombic. In each of the three structures, the bicyclic ring system adopts a chair–chair conformation and the phenyl rings are in equatorial orientation with respect to the piperidine ring. In AABN, apart from the van der Waals forces, weak intermolecular C—H⋯O type interactions are involved in the packing. |
| doi_str_mv | 10.1107/S0108768199005273 |
| format | Article |
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N. ; Shanmugam, G. ; Ponnuswamy, S. ; Jeyaraman, R. ; Shivakumar, K. ; Fun, H.-K.</creator><creatorcontrib>Kumaran, D. ; Ponnuswamy, M. N. ; Shanmugam, G. ; Ponnuswamy, S. ; Jeyaraman, R. ; Shivakumar, K. ; Fun, H.-K.</creatorcontrib><description>The structure, conformation, molecular geometry and the mode of packing of 7‐tert‐butyl‐N‐methyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C25H33N; MTABN), N‐acetyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C22H25NO; AABN) and N‐methyl‐2,4‐bis(2‐methylphenyl)‐3‐azabicyclo[3.3.1]nonan‐9‐ol (C23H29NO; MHABN) are presented. The compounds MTABN and MHABN crystallize in monoclinic space groups, whereas AABN is orthorhombic. In each of the three structures, the bicyclic ring system adopts a chair–chair conformation and the phenyl rings are in equatorial orientation with respect to the piperidine ring. In AABN, apart from the van der Waals forces, weak intermolecular C—H⋯O type interactions are involved in the packing.</description><identifier>ISSN: 0108-7681</identifier><identifier>EISSN: 1600-5740</identifier><identifier>DOI: 10.1107/S0108768199005273</identifier><identifier>PMID: 10927419</identifier><identifier>CODEN: ASBSDK</identifier><language>eng</language><publisher>5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of Crystallography</publisher><subject>Antineoplastic agents ; Biological and medical sciences ; Condensed matter: structure, mechanical and thermal properties ; Exact sciences and technology ; General aspects ; Heterocyclic compounds ; Medical sciences ; Organic compounds ; Pharmacology. Drug treatments ; Physics ; Structure of solids and liquids; crystallography ; Structure of specific crystalline solids</subject><ispartof>Acta crystallographica. 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N.</creatorcontrib><creatorcontrib>Shanmugam, G.</creatorcontrib><creatorcontrib>Ponnuswamy, S.</creatorcontrib><creatorcontrib>Jeyaraman, R.</creatorcontrib><creatorcontrib>Shivakumar, K.</creatorcontrib><creatorcontrib>Fun, H.-K.</creatorcontrib><title>Molecular structures and conformations of three 3-azabicyclononanes</title><title>Acta crystallographica. Section B, Structural science</title><addtitle>Acta Cryst. B</addtitle><description>The structure, conformation, molecular geometry and the mode of packing of 7‐tert‐butyl‐N‐methyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C25H33N; MTABN), N‐acetyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C22H25NO; AABN) and N‐methyl‐2,4‐bis(2‐methylphenyl)‐3‐azabicyclo[3.3.1]nonan‐9‐ol (C23H29NO; MHABN) are presented. The compounds MTABN and MHABN crystallize in monoclinic space groups, whereas AABN is orthorhombic. In each of the three structures, the bicyclic ring system adopts a chair–chair conformation and the phenyl rings are in equatorial orientation with respect to the piperidine ring. In AABN, apart from the van der Waals forces, weak intermolecular C—H⋯O type interactions are involved in the packing.</description><subject>Antineoplastic agents</subject><subject>Biological and medical sciences</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Exact sciences and technology</subject><subject>General aspects</subject><subject>Heterocyclic compounds</subject><subject>Medical sciences</subject><subject>Organic compounds</subject><subject>Pharmacology. 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Drug treatments</topic><topic>Physics</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Structure of specific crystalline solids</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kumaran, D.</creatorcontrib><creatorcontrib>Ponnuswamy, M. N.</creatorcontrib><creatorcontrib>Shanmugam, G.</creatorcontrib><creatorcontrib>Ponnuswamy, S.</creatorcontrib><creatorcontrib>Jeyaraman, R.</creatorcontrib><creatorcontrib>Shivakumar, K.</creatorcontrib><creatorcontrib>Fun, H.-K.</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Acta crystallographica. Section B, Structural science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kumaran, D.</au><au>Ponnuswamy, M. N.</au><au>Shanmugam, G.</au><au>Ponnuswamy, S.</au><au>Jeyaraman, R.</au><au>Shivakumar, K.</au><au>Fun, H.-K.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Molecular structures and conformations of three 3-azabicyclononanes</atitle><jtitle>Acta crystallographica. Section B, Structural science</jtitle><addtitle>Acta Cryst. B</addtitle><date>1999-10</date><risdate>1999</risdate><volume>55</volume><issue>5</issue><spage>793</spage><epage>798</epage><pages>793-798</pages><issn>0108-7681</issn><eissn>1600-5740</eissn><coden>ASBSDK</coden><abstract>The structure, conformation, molecular geometry and the mode of packing of 7‐tert‐butyl‐N‐methyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C25H33N; MTABN), N‐acetyl‐2,4‐diphenyl‐3‐azabicyclo[3.3.1]nonane (C22H25NO; AABN) and N‐methyl‐2,4‐bis(2‐methylphenyl)‐3‐azabicyclo[3.3.1]nonan‐9‐ol (C23H29NO; MHABN) are presented. The compounds MTABN and MHABN crystallize in monoclinic space groups, whereas AABN is orthorhombic. In each of the three structures, the bicyclic ring system adopts a chair–chair conformation and the phenyl rings are in equatorial orientation with respect to the piperidine ring. In AABN, apart from the van der Waals forces, weak intermolecular C—H⋯O type interactions are involved in the packing.</abstract><cop>5 Abbey Square, Chester, Cheshire CH1 2HU, England</cop><pub>International Union of Crystallography</pub><pmid>10927419</pmid><doi>10.1107/S0108768199005273</doi><tpages>6</tpages></addata></record> |
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| source | Crystallography Journals Online; Wiley Online Library Journals Frontfile Complete |
| subjects | Antineoplastic agents Biological and medical sciences Condensed matter: structure, mechanical and thermal properties Exact sciences and technology General aspects Heterocyclic compounds Medical sciences Organic compounds Pharmacology. Drug treatments Physics Structure of solids and liquids crystallography Structure of specific crystalline solids |
| title | Molecular structures and conformations of three 3-azabicyclononanes |
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