4'-Methyl-3-(4-nitro-phen-yl)-4-phenyl-4,5,1',2',3',4'-hexa-hydro-spiro-[isoxazole-5,2'-naphthalen]-1'-one.

ABSTRACT: The title compound, C(25)H(20)N(2)O(4), is a new spiro-isoxazoline derivative. It contains a five-membered isoxazoline ring (A), a tetra-lone unit (E and D), a 4-nitro-phenyl substituent (B), and a phenyl ring (C). The isoxazoline ring (A) has an envelope conformation, while the cyclo-hexenone ring (D) has an inter-mediate sofa/half-chair conformation. The aromatic ring of the 4-nitro-phenyl substituent (B) is inclined at an angle of 78.97?(10)° to the phenyl ring (C). The rigid pharmacophore site, Osp(2)-C-C-Osp(3), is characterized by an O?O distance of 3.113?(2)?Å and an O-C-C-O torsion angle of 97.8?(2)°. In the crystal structure, mol-ecules are linked by C-H?O contacts.

SUBMITTER: Alhouari G 

PROVIDER: S-EPMC2960307 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature