Conformations of barbiturates related to pentobarbitone. I. Crystal structure oftrans-5-ethyl-5-but-1′-enyl barbituric acid |
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| Authors: | G P Jones P R Andrews |
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| Institution: | (1) Department of Physical Biochemistry, John Curtin School of Medical Research, A.N.U., Canberra, Australia;(2) Present address: Department of Plant Physiology, Waite Institute, University of Adelaide, 5064 Glen Osmond, South Australia, Australia;(3) Present address: Victorian College of Pharmacy, Ltd., 3052 Parkville, Victoria, Australia |
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| Abstract: | trans-5-Ethyl-5-but-1 -enyl barbituric acid, mp 112° C, is triclinic, space groupP¯1 witha = 8.228(1),b = 10.445 (2),c = 7.265(1) Å,  = 111.165(1),  = 105.512(1),  = 95.079(1)°, and Z = 2. The crystal structure was determined by direct methods and refined to R = 0.047 by full-matrix least-squares procedures for 2308 observed diffraction maxima. The molecules form ribbonlike structures alongb, held together by N-H ... O=C hydrogen bonds and van der Waals forces between an alternating sequence of ethyl and but-1-enyl groups. |
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