3,5‐Dimethyl‐1,3,5‐oxadiazane‐2,4,6‐trione: short intermolecular contacts determining the crystal packing |
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Authors: | Janna Geith,Thomas M. Klapö tke,Peter Mayer,Axel Schulz,Jan J. Weigand |
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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. |
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