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Redetermination of trans-2,5,7,10-tetra­aza­bi­cyclo­[4.4.0]­decane

✍ Scribed by Sänger, Inge ;Lerner, Hans-Wolfram ;Bolte, Michael

Publisher
International Union of Crystallography
Year
2004
Tongue
English
Weight
304 KB
Volume
60
Category
Article
ISSN
1600-5368

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✦ Synopsis

Single-crystal X-ray study T = 173 K Mean '(C±C) = 0.002 A Ê Disorder in main residue R factor = 0.050 wR factor = 0.144 Data-to-parameter ratio = 10.0 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.

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Crystallization of [Cd(S-thpc12)](ClO 4 ) 2 ÁH 2 O {S-thpc12 is 1,4,7,10-tetrakis[(S)-2-hydroxypropyl]-1,4,7,10-tetraazacyclo-dodecane} in the presence of sodium salicylate (sodium o-hydroxybenzoate) forms a receptor complex, namely the title compound, [Cd(C 20 H 44 N 4 O 4 )(C 7 H 5 O 3 )]ClO 4 Á0.

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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 .