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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.

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.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0014-A05C-A Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0027-CF54-0
Genre: Journal Article

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1852622.pdf (Publisher version), 391KB
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 Creators:
Kurbanova, M. M., Author
Huseynov, E. Z., Author
Gurbanov, A. V., Author
Maharramov, A. M., Author
Kia, R.1, Author              
Affiliations:
1Research Group of Structural Dynamics of (Bio)Chemical Systems, MPI for Biophysical Chemistry, Max Planck Society, ou_578564              

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Free keywords: single-crystal X-ray study; T = 294 K; mean (C–C) = 0.004 A°; disorder in main residue; R factor = 0.050; wR factor = 0.136; data-to-parameter ratio = 18.8.
 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.

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Language(s): eng - English
 Dates: 2013-03-16
 Publication Status: Published online
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 Rev. Method: Peer
 Identifiers: DOI: 10.1107/S1600536813006739
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Title: Acta Crystallographica E
Source Genre: Journal
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Pages: 9 Volume / Issue: 69 (4) Sequence Number: - Start / End Page: 0541 Identifier: -