Published Date
The asymmetric unit of the title compound, C(14)H(17)N(3)O(3)·0.25H(2)O, comprises two independent organic mol-ecules and a water mol-ecule lying on a crystallographic twofold rotation axis with 50% site occupancy. In both independent mol-ecules, the cyclo-hexene rings adopt envelope conformations but superposition of the two molecules shows that the flap atoms point in opposite directions. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds inter-connect adjacent mol-ecules into a three-dimensional network. Weak inter-molecular π-π aromatic stacking inter-actions [centroid-centroid distances = 3.4985 (9) and 3.6630 (9) Å] are also observed.
For further details log on website :
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 28;66(Pt 9):o2414-5. doi: 10.1107/S1600536810033933.
Title
3-(2-Amino-5-nitro-anilino)-5,5-dimethyl-cyclo-hex-2-en-1-one 0.25-hydrate.
Author
Mehdi SH, Hashim R, Ghalib RM, Goh JH, Fun HK.
Abstract
| PMC full text: |
Published online 2010 Aug 28. doi: 10.1107/S1600536810033933
|
<< PrevFig. 1.Next >>
|
Fig. 1.
The asymmetric unit of the title compound, showing 50% probability displacement ellipsoids for non-H atoms and the atom-numbering scheme.
Images in this article
Click on the image to see a larger version.
| PMC full text: |
Published online 2010 Aug 28. doi: 10.1107/S1600536810033933
|
Fig. 2.
Fit of molecule A (dashed lines) on molecule B (solid lines). H atoms have been omitted for clarity.
| PMC full text: |
Published online 2010 Aug 28. doi: 10.1107/S1600536810033933
|
<< PrevFig. 3.Next >>
|
Fig. 3.
The crystal structure of the title compound, viewed down the b axis. H atoms not involved in hydrogen bonds (dashed lines) have been omitted for clarity.
No comments:
Post a Comment