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1.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 2): o509-10, 2008 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-21201529

RESUMO

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) Šand an O-C-C-O torsion angle of 97.8 (2)°. In the crystal structure, mol-ecules are linked by C-H⋯O contacts.

2.
Acta Crystallogr Sect E Struct Rep Online ; 64(Pt 2): o511, 2008 Jan 23.
Artigo em Inglês | MEDLINE | ID: mdl-21201530

RESUMO

The title compound, C(14)H(8)N(4)O(6), a new 1,2,5-oxadiazole N-oxide derivative, was formed by dimerization of 4-nitro-benz-al-de-hyde oxime. The compound crystallizes with two independent mol-ecules per asymmetric unit. The N-oxide O atom is disordered over two sites in each mol-ecule; site occupancy factors are 0.57/0.43 and 0.5/0.5. The mean planes through the two benzene rings are inclined to the planar 1,2,3-oxadiazole ring by 25.03 (11) and 41.64 (11)° in one mol-ecule, and 22.58 (11) and 42.66 (11)° in the other mol-ecule, the smaller angle being for the ring on the oxide side of the oxadiazole ring in each case. In the crystal structure, the individual mol-ecules form centrosymmetric dimers linked via C-H⋯O hydrogen bonds. The dimers of one mol-ecule are then linked to those of the other mol-ecule via C-H⋯O hydrogen bonds, forming a three-dimensional network.

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