Ethyl 6-acetylamino-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxylate.
The title compound, C(20)H(21)NO(3), is a derivative of Aib (alpha-aminoisobutyric acid) and is cyclized at the C(alpha) position by biphenyl rings. The seven-membered ring possesses C2 symmetry. The C(alpha) cyclization causes the backbone to assume a helical conformation in the crystal structure. The packing of the molecules is stabilized by intermolecular C-H.O, C-H.pi and N-H.O hydrogen bonds.
Damodharan
Lakshminarasimhan
L
Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Shamaladevi
Nagarajarao
N
Pattabhi
Vasantha
V
Behera
Manoranjan
M
Kotha
Sambasivarao
S
D018360:Crystallography, X-Ray; D003508:Cycloheptanes / Q000138:chemical synthesis / Q000737:chemistry*; D004952:Esters / Q000138:chemical synthesis / Q000737:chemistry*; D005998:Glycine / Q000031:analogs & derivatives* / Q000138:chemical synthesis / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation
D003508:Cycloheptanes; D004952:Esters; C460379:ethyl 6-acetylamino-6,7-dihydro-5H-dibenzo(a,c)cycloheptene-6-carboxylate; D005998:Glycine