date: 2013-03-27T09:55:11Z
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pdf:docinfo:title: Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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dc:description: In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)degrees. 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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description: In the title compound, C21H24BrNO4, the dihedral angle between the heterocyclic ring and the pendant aromatic ring is 80.20 (13)degrees. 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.
dcterms:created: 2013-03-16T12:00:00Z
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dcterms:modified: 2013-03-27T09:55:11Z
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title: Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
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dc:title: Ethyl 4-(5-bromo-2-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
modified: 2013-03-27T09:55:11Z
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producer: International Union of Crystallography
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pdf:docinfo:producer: International Union of Crystallography
pdf:docinfo:created: 2013-03-16T12:00:00Z