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- W2084800805 abstract "Polymorph (I a ) of eldoral [5-ethyl-5-(piperidin-1-yl)barbituric acid or 5-ethyl-5-(piperidin-1-yl)-1,3-diazinane-2,4,6-trione], C 11 H 17 N 3 O 3 , displays a hydrogen-bonded layer structure parallel to (100). The piperidine N atom and the barbiturate carbonyl group in the 2-position are utilized in N—H...N and N—H...O=C hydrogen bonds, respectively. The structure of polymorph (I b ) contains pseudosymmetry elements. The two independent molecules of (I b ) are connected via N—H...O=C(4/6-position) and N—H...N(piperidine) hydrogen bonds to give a chain structure in the [100] direction. The hydrogen-bonded layers, parallel to (010), formed in the salt diethylammonium 5-ethyl-5-(piperidin-1-yl)barbiturate [or diethylammonium 5-ethyl-2,4,6-trioxo-5-(piperidin-1-yl)-1,3-diazinan-1-ide], C 4 H 12 N + ·C 11 H 16 N 3 O 3 − , (II), closely resemble the corresponding hydrogen-bonded structure in polymorph (I a ). Like many other 5,5-disubstituted derivatives of barbituric acid, polymorphs (I a ) and (I b ) contain the R 2 2 (8) N—H...O=C hydrogen-bond motif. However, the overall hydrogen-bonded chain and layer structures of (I a ) and (I b ) are unique because of the involvement of the hydrogen-bond acceptor function in the piperidine group." @default.
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- W2084800805 date "2012-01-06" @default.
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- W2084800805 title "Two polymorphs and the diethylammonium salt of the barbiturate eldoral" @default.
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- W2084800805 doi "https://doi.org/10.1107/s0108270111055120" @default.
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