Abstract
The title compound, C16H22N4O8, is a glycoluril derivative with two propoxycarbonyl substituents on the convex face of the glycoluril system. The dihedral angle between the five-membered rings in the glycoluril unit is 72.70 (2)°. The oxadiazinane six-membered ring displays a normal chair conformation. One of the propyl groups is disordered over two positions with site occupancies of 0.557 (7) and 0.443 (7). Intermolecular C—H⋯O hydrogen bonds are effective in the stabilization of the crystal structure.
Highlights
Key Laboratory of Pesticides and Chemical Biology of the Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People’s
One of the propyl groups is disordered over two positions with site occupancies of 0.557 (7) and 0.443 (7)
Glycolurils are a topic of numerous reports; these compounds are of use in supramolecular chemistry as building blocks for molecular clips (Rowan et al, 1999; Isaacs & Witt, 2002) and molecular capsules (Rebek, 1999)
Summary
Key indicators: single-crystal X-ray study; T = 294 K; mean (C–C) = 0.005 Å; disorder in main residue; R factor = 0.050; wR factor = 0.123; data-to-parameter ratio = 8.8. The dihedral angle between the fivemembered rings in the glycoluril unit is 72.70 (2). The oxadiazinane six-membered ring displays a normal chair conformation. One of the propyl groups is disordered over two positions with site occupancies of 0.557 (7) and 0.443 (7). Intermolecular C—H O hydrogen bonds are effective in the stabilization of the crystal structure. The authors thank Dr She Neng-Fang and Meng Xiang-Gao for the data collection
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
