Isotypic crystal structures of 1-benzyl-4-(4-bromo-phen-yl)-2-imino-1,2,5,6,7,8,9,10-octa-hydro-cyclo-octa-[b]pyridine-3-carbo-nitrile and 1-benzyl-4-(4-fluoro-phen-yl)-2-imino-1,2,5,6,7,8,9,10-octa-hydro-cyclo-octa-[b]pyridine-3-carbo-nitrile
| Autor: | Raju Ranjith Kumar, R.A. Nagalakshmi, S. Maharani, J. Suresh, P.L.N. Lakshman |
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| Rok vydání: | 2014 |
| Předmět: |
crystal structure
Crystallography Nitrile cyclooctapyridine Hydrogen bond cyclooctapyridine General Chemistry Crystal structure Dihedral angle Condensed Matter Physics Ring (chemistry) hydrogen bonding Medicinal chemistry Research Communications chemistry.chemical_compound chemistry QD901-999 Pyridine General Materials Science |
| Zdroj: | Acta Crystallographica Section E: Structure Reports Acta Crystallographica Section E, Vol 70, Iss 11, Pp 344-347 (2014) |
| ISSN: | 1600-5368 |
| Popis: | Two isotypic title compounds comprise a 2-iminopyridine ring fused with a cyclooctane ring. In one compound, the cyclooctane ring adopts a twisted chair–chair conformation, while in the second, this ring adopts a twisted boat–chair conformation. The molecules of the two isotypic title compounds, C25H24BrN3, (I), and C25H24FN3, (II), comprise a 2-iminopyridine ring fused with a cyclooctane ring. In (I), the cyclooctane ring adopts a twisted chair–chair conformation, while in (II), this ring adopts a twisted boat–chair conformation. The dihedral angles between the planes of the pyridine ring and the bromobenzene and phenyl rings are 80.14 (12) and 71.72 (13)°, respectively, in (I). The equivalent angles in (II) are 75.25 (8) and 68.34 (9)°, respectively. In both crystals, inversion dimers linked by pairs of C—H⋯N interactions generate R 2 2(14) loops, which are further connected by weak C—H⋯π interactions, generating (110) sheets. |
| Databáze: | OpenAIRE |
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