Research Article: Ethyl 2-(7-oxo-3,5-diphenyl-1,4-diaze­pan-2-yl)acetate

Date Published: April 01, 2012

Publisher: International Union of Crystallography

Author(s): G. Jagadeesan, K. Sethusankar, P. Selvakumar, S. Thennarasu, A. B. Mandal.


In the title compound, C21H24N2O3, the diazepane ring adopts a chair conformation. The central diazepane ring forms dihedral angles 67.80 (7) and 72.29 (5)° with the two benzene rings. The eth­oxy­carbonyl group is disordered over two conformations with site-occupancy factors of 0.643 (5) and 0.357 (5). In the crystal, inversion dimers linked by pairs of N—H⋯O hydrogen bonds generate R22(8) loops.

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For general background to biological activities of diazepane derivatives, see: Hirokawa et al. (1998 ▶). For a related structure, see: Ravichandran et al. (2009 ▶). For puckering parameters, see: Cremer & Pople (1975 ▶). For graph-set notation, see: Bernstein et al. (1995 ▶).