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

Alhouari G, Kerbal A, Larbi NB, Bennani B, Hadda TB, Stoeckli-Evans H - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: 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).In the crystal structure, mol-ecules are linked by C-H⋯O contacts.

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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.

No MeSH data available.


Related in: MedlinePlus

The crystal packing of (I), viewed down the b axis. The C—H···O contacts are shown as dashed lines. H atoms not involved in C—H···O contacts have been omitted for clarity.
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Fap2: The crystal packing of (I), viewed down the b axis. The C—H···O contacts are shown as dashed lines. H atoms not involved in C—H···O contacts have been omitted for clarity.


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

Alhouari G, Kerbal A, Larbi NB, Bennani B, Hadda TB, Stoeckli-Evans H - Acta Crystallogr Sect E Struct Rep Online (2008)

The crystal packing of (I), viewed down the b axis. The C—H···O contacts are shown as dashed lines. H atoms not involved in C—H···O contacts have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2960307&req=5

Fap2: The crystal packing of (I), viewed down the b axis. The C—H···O contacts are shown as dashed lines. H atoms not involved in C—H···O contacts have been omitted for clarity.
Bottom Line: 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).In the crystal structure, mol-ecules are linked by C-H⋯O contacts.

View Article: PubMed Central - HTML - PubMed

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.

No MeSH data available.


Related in: MedlinePlus