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.

ABSTRACT: The mol-ecules of the two isotypic title compounds, C25H24BrN3, (I), and C25H24FN3, (II), comprise a 2-imino-pyridine ring fused with a cyclo-octane ring. In (I), the cyclo-octane 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 bromo-benzene 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 inter-actions generate R 2 (2)(14) loops, which are further connected by weak C-H?? inter-actions, generating (110) sheets.

SUBMITTER: Nagalakshmi RA 

PROVIDER: S-EPMC4257254 | biostudies-other | 2014 Nov

REPOSITORIES: biostudies-other