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Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate.

MPS-Authors
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Kia,  R.
Research Group of Structural Dynamics of (Bio)Chemical Systems, MPI for Biophysical Chemistry, Max Planck Society;

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1852622.pdf
(Publisher version), 391KB

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Citation

Kurbanova, M. M., Huseynov, E. Z., Gurbanov, A. V., Maharramov, A. M., & Kia, R. (2013). Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Acta Crystallographica E, 69(4), 0541. doi:10.1107/S1600536813006739.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0014-A05C-A
Abstract
In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)°. The hexahydroquinone [i.e. the one with the C=O group] ring adopts a sofa conformation. An intramolecular O-H...O hydrogen bond generates an S(6) ring motif. The ethyl group is disordered over two sets of sites with a refined site occupancy ratio of 0.633 (10):0.366 (10). In the crystal, molecules are linked by N-H...O interactions, forming chains parallel to [101]. There are no significant C-H...[pi] or [pi]-[pi] interactions in the crystal structure.