title: 3,5-Dimethyl-1,3,5-oxadiazane-2,4,6-trione: short intermolecular contacts determining the crystal packing.
abstract: In the title compound, C5H6N2O4, the molecules lie across a crystallographic mirror plane. The compound lacks traditional hydrogen-bond donors, and hence crystals are held together by unusual C=O...O, O...C and weak C-H...O interactions, forming layers. Adjacent layers are arranged in an antiparallel manner, yielding an ABA layer sequence. The intermolecular contacts are quite short; a topological analysis of charge density based on density-functional-theory calculations was used for consideration of these short contacts and indicated a strong attractive bonding closed-shell interaction between these atoms in the crystal structure.
authors.affiliation: Department Chemie und Pharmazie, Ludwig-Maximilians Universität, Butenandtstrasse 5-13 (Haus D), D-81377 München, Germany.
authors.forename: Janna
authors.initials: J
authors.lastname: Geith
authors.forename: Thomas M
authors.initials: TM
authors.lastname: Klapötke
authors.forename: Peter
authors.initials: P
authors.lastname: Mayer
authors.forename: Axel
authors.initials: A
authors.lastname: Schulz
authors.forename: Jan J
authors.initials: JJ
authors.lastname: Weigand