Structure, conformation and hydrogen bonding of two amino-cycloalkanespiro-5-hydantoins |
| |
| Authors: | Petar T Todorov Rosica N Petrova Emilia D Naydenova Boris L Shivachev |
| |
| Institution: | (1) Department of Organic Chemistry, University of Chemical Technology and Metallurgy, Sofia, 1756, Bulgaria;(2) Department of Advanced Materials Science and Engineering, Faculty of Engineering, Yamaguchi University, Ube 755-8611, Japan;(3) Central Laboratory of Mineralogy and Crystallography, Bulgarian Academy of Sciences, Sofia, 1113, Bulgaria;(4) Department of Structural Biology, University of Pittsburgh School of Medicine, Pittsburgh, 15260, USA |
| |
| Abstract: | The crystal structures of 3-amino-cycloheptanespiro-4′-imidazolidine-2′,5′-dione (I) {systematic name: 3-amino-1,3-diazaspiro4.6]
undecane-2,4-dione} and 3-amino-cyclooctanespiro-4′-imidazolidine-2′,5′-dione (II) {systematic name: 3-amino-1,3-diazaspiro4.7]
dodecane-2,4-dione}, have been determined. In both compounds the polar hydantoin groups cause molecules to aggregate via N-H...O
and N-H...N interactions, forming a layer structure, in which the cycloalkane rings project outwards from the central, more
polar, region. The observed molecular structure is compared with that calculated by density functional theory methods.
 |
| |
| Keywords: | Spirohydantoins Crystal structure Hydrogen bonds DFT calculations |
| 本文献已被 SpringerLink 等数据库收录！ |
|
