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  Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quino-line-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-hexahydro-quino-line-3-carboxylate. Acta Crystallographica E, 69(4): o541. doi:10.1107%2FS1600536813006739.

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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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 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⋯π or π–π inter­actions in the crystal structure

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Language(s): eng - English
 Dates: 2013-03-162013-04-01
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: DOI: 10.1107%2FS1600536813006739
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Title: Acta Crystallographica E
Source Genre: Journal
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Pages: - Volume / Issue: 69 (4) Sequence Number: o541 Start / End Page: - Identifier: -