Crystal structure of the α-racemate of methohexital

Acta Crystallographica Section E: Crystallographic Communications

Gelbrich, T.¹  Griesser, U.J.¹ 

[1] Institute of Pharmacy, University of Innsbruck, Innrain 52c, 6020 Innsbruck, Austria

关键词: CRYSTAL STRUCTURE;    BARBITURATE;    HYDROGEN BONDING;    ANAESTHETIC;   

DOI  :  10.1107/S205698901500105X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

Mol­ecules of the title compound, C14H18N2O3 [systematic name: 5-allyl-5-(hex-3-yn-2-yl)-1-methylpyrimidine-2,4,6(1H,3H,5H)-trione in the (RbSh)/(SbRh) racemic form], are connected by mutual N—H⋯O=C hydrogen bonds in which the carbonyl group at the 2-position of the pyrimidine­trione ring is employed. These inter­actions result in an inversion dimer which displays a central R22(8) ring motif. This dimer is topologically distinct from that of the previously reported (SbRh) form, which is, however, also based on an R22(8) motif. The methyl group at the 1-position of the pyrimidine­trione ring in the title structure is disordered over two sets of sites in a 0.57 (2):0.43 (2) ratio.

【 授权许可】

CC BY