Tert-Butyl 2-methyl-2-(4-nitro-benzo-yl)propanoate.

ABSTRACT: The title compound, C(15)H(19)NO(5), is bent with a dihedral angle of 61.8?(2)° between the mean planes of the benzene ring and a group encompassing the ester functionality (O=C-O-C). The dihedral angle of 0.8?(2)° between the mean planes of the nitro group and the benzene ring indicates near coplanarity. In the crystal, each mol-ecule is linked to four adjacent mol-ecules by weak C-H?O hydrogen-bonding inter-actions. Both benzene H atoms ortho to the ketone O atom form C-H?O hydrogen bonds with the keto O atoms of two neighboring mol-ecules (of the keto and ester groups, respectively), and the two other inter-actions involve the H atoms from a methyl group of the dimethyl residue, displaying C-H?O inter-actions with the O atoms of the nitro groups. These four inter-actions for each mol-ecule lead to the formation of two-dimensional sheets with a hydro-philic inter-ior, held together by weak hydrogen-bonded inter-actions, and a hydro-phobic exterior composed of protruding methyl groups which interst-ack with the methyl groups in adjacent sheets.

SUBMITTER: Crosse CM 

PROVIDER: S-EPMC2979732 | biostudies-other | 2010

REPOSITORIES: biostudies-other