(±)-6,7-Dihydro-1,6,11-trimethyl-5H-dibenz[c,e]azepine

Fine-tuning of biaryl dihedral angles: structural characterization of five homologous three-atom bridged biphenyls by X-ray crystallography

“…Symbols: (*) highest of four per unit cell; ( †) lowest of four per unit cell; ( ‡) highest of three per unit cell; (x) lowest of three per unit cell; ({) highest of two per unit cell; (¥) lowest of two per unit cell. CSD six-letter codes: (17), DIFTAN (Engelhardt et al, 1985); (18), JAFLAE (Bringmann et al, 2003); (19), TICTOO (Roszak et al, 1996); (20), GEDYOD (Schmid et al, 1988); (21), GAVKET (Nyburg et al, 1988); (22), GAVKAP (Nyburg et al, 1988); (23), NUBGOG (Mrvoš-Sermek et al, 1998); (24), XEBNOH (Arroyo et al, 2000); (25), WOBMIJ (Schneider et al, 2000); (26), WOBMEF (Schneider et al, 2000); (27), HOVGEE (Widhalm et al, 1999); (28), XEBNIB (Arroyo et al, 2000); 29 comparable strength. The results are consistent with the expectation that the major determinant of the degree of helicity in the seven-membered ring, and hence in the biaryl chromophore, is the C-X bond length.…”

(M)- and (P)-8-[(1S,2R)-2-hydroxy-1-methyl-2-phenylethyl]-8-methyl-8,9-dihydro-7H-dinaphth[2,1-c:1′,2′-e]azepinium bromide solvates

“…Of these ten structures, three structures have sp 2 C atoms adjacent to the azepine N atom and one has no coordinates in the CSD. In the six remaining structures (Nyburg et al, 1988;Rychnovsky et al, 1996;Mrvos Ï-Sermek et al, 1998;Widhalm et al, 1998;Alilou et al, 1999), the azepine or azepinium ring adopts a twisted-boat conformation in which one NÐC bond and the opposing CÐC bond that is fused to one of the naphthyl or phenyl rings forms the¯oor of the boat. The angle between the planes de®ned by this four-atom¯oor and the three-atom bow plane of the boat is in the range 40.9± 51.5 , while the angle between the¯oor and the four-atom stern plane of the boat is in the range 48.5±55.8 .…”