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2,5-Di­nitro-7,9-dioxa-2,5-di­aza­bi­cyclo­[4.3.0]­nonan-8-one

✍ Scribed by Gilardi, Richard D. ;Butcher, Ray J.

Publisher
International Union of Crystallography
Year
2001
Tongue
English
Weight
383 KB
Volume
57
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound, C 5 H 6 N 4 O 7 , is a cyclic carbonate ester of 1,4-piperazine-2,3-diol. It contains only C, H, N, and O atoms, and has a high density of 1.828 Mg m À3 .

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The structure of the title compound, C 5 H 7 N 7 O 7 , contains fused ®ve-and six-membered rings in a ¯attened envelope and a twist-boat conformation, respectively, with a cis junction between the two heterocyclic rings.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.056 wR factor = 0.147 Data-to-parameter ratio = 12.9 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.009 A Ê R factor = 0.068 wR factor = 0.198 Data-to-parameter ratio = 9.2 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.