两种环己烷螺-5'-乙内酰脲一水合物。
Two cyclohexanespiro-5'-hydantoin monohydrates.
作者信息
Gauthier T J, Yokum T S, Morales G A, McLaughlin M L, Liu Y H, Fronczek F R
机构信息
Department of Chemistry, Louisiana State University, Baton Rouge 70803-1804, USA.
出版信息
Acta Crystallogr C. 1997 Nov 15;53 ( Pt 11):1659-61. doi: 10.1107/s0108270197007488.
Cyclohexanespiro-5'-hydantoin monohydrate, C8H12N2O2.H2O, has a chair-shaped cyclohexane ring with endocyclic torsion-angle magnitudes in the range 54.4 (2)-56.3 (2) degrees. All potential hydrogen-bond donors are involved in intermolecular hydrogen bonding, with lengths in the range 2.760 (2)-2.908 (2) A. In its indolyl adduct, 2-(3-indolyl)cyclohexanespiro-5'-hydantoin monohydrate, C16H17N3O2.H2O, the cyclohexane moiety adopts a chair conformation with the indolyl substituent in an equatorial position. The N-H portion of the hydantoin ring is cis to indolyl, while the C=O of the hydantoin is trans. Endocyclic torsion-angle magnitudes of the cyclohexane ring are in the range 54.2 (2)-56.7 (2) degrees. All potential hydrogen-bond donors are involved in intermolecular hydrogen bonds, with lengths 2.828 (2)-3.187 (2) A.
环己烷螺 -5'-乙内酰脲一水合物，C₈H₁₂N₂O₂·H₂O，具有椅式环己烷环，环内扭转角大小在54.4(2)-56.3(2)度范围内。所有潜在的氢键供体都参与分子间氢键作用，键长在2.760(2)-2.908(2) Å范围内。在其吲哚基加合物2-(3-吲哚基)环己烷螺 -5'-乙内酰脲一水合物，C₁₆H₁₇N₃O₂·H₂O中，环己烷部分呈椅式构象，吲哚基取代基处于平伏位置。乙内酰脲环的N - H部分与吲哚基顺式，而乙内酰脲的C = O为反式。环己烷环的环内扭转角大小在54.2(2)-56.7(2)度范围内。所有潜在的氢键供体都参与分子间氢键作用，键长为2.828(2)-3.187(2) Å。
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