[2,6-Bis(biphenyl-4-yl)-4-hy-droxy-4-(pyridin-2-yl)cyclo-hexane-1,3-di-yl]bis-[(pyridin-2-yl)methanone]-butan-2-one (1/1).

ABSTRACT: In the title solvate, C(47)H(37)N(3)O(3)·C(4)H(8)O, the cyclo-hexane ring adopts a chair conformation and the plane through its near coplanar atoms forms dihedral angles of 82.58?(7), 89.27?(7), 60.30?(8), 54.54?(7) and 72.03?(7)°, respectively, with the three pyridine rings and the two attached benzene rings. The rings of the biphenyl units are twisted from each other, making dihedral angles of 35.27?(7) and 45.41?(7)°. All the rings are in equatorial orientations in the cyclo-hexane ring, except for the C=O-bonded pyridine ring in position 1, which is axial. Intra-molecular O-H?N and C-H?O hydrogen bonds form one S(5) and three S(6) ring motifs. In the crystal, mol-ecules are linked via C-H?O hydrogen bonds into a chain along the c axis. The crystal structure also features weak C-H?? inter-actions and aromatic ?-? stacking [centroid-centroid distances = 3.5856?(10) and 3.7090?(9)?Å].

SUBMITTER: Fun HK 

PROVIDER: S-EPMC3379237 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature