Tinant, Bernard
[UCL]
Declercq, Jean-Paul
[UCL]
Rouchy, P.
Guillot, N.
C13H11Cl4NO, M(r) = 339.05, triclinic, P1BAR, a = 8.180 (1), b = 8.318 (1), c = 11.542 (2) angstrom, alpha = 87.85 (1), beta = 96.32 (2), gamma = 110.27 (2)-degrees, V = 732.2 (2) angstrom 3, Z = 2, D(x) = 1.54 g cm-3, Mo K-alpha, lambda = 0.71069 angstrom, mu = 7.99 cm-1, F(000) = 344, T = 291 K, R = 0.031 for 1862 observed reflections. The configuration of the bicyclic system is exo. The six-membered piperidinone adopts a slightly distorted boat conformation with endocyclic torsion angles of -50 (1), 57 (1), -7 (1), -47 (1), 48 (1) and 0 (1)-degrees. The three cyclopropane bonds have very similar lengths: 1.520 (3), 1.511 (3) and 1.521 (3) angstrom. Dimers are formed through hydrogen bonds between the piperidyl hydrogen and the carbonyl oxygen: N...O = 2.908 (3), H...O = 2.08 (2) angstrom and N-H...O = 168.5 (2)-degrees.
Bibliographic reference |
Tinant, Bernard ; Declercq, Jean-Paul ; Rouchy, P. ; Guillot, N.. 1,6,7,7-tetrachloro-5-methyl-2-phenyl-3-azabicyclo(4.1.0)heptan-4-one. In: Acta Crystallographica. Section C: Crystal Structure Communications, Vol. 47, p. 2002-2003 (1991) |
Permanent URL |
http://hdl.handle.net/2078.1/50907 |