Structure of 1,2,4-oxadiazolidine-3,5-dione monohydrate

Begum, Sameena A and Jain, VK and Ramakumar, S and Khetrapal, CL (1988) Structure of 1,2,4-oxadiazolidine-3,5-dione monohydrate. In: Acta Crystallographica Section C, 44 . pp. 195-196.

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Abstract

C2H2N203.H20, Mr= 120.07, monoclinic,P21/c, a= 5.011 (1), b= 11.796(2), c= 7.689 (2)A,fl= 95.22 (2) ° , V= 452.61 A 3, Z= 4, Dx= 1.76, D m = 1.75 gcm -3, /].(Cu Ks) = 1.5418 A, g = 14-0 cm -l,F(000) = 248, T = 293 K, crystal quality was poor and the final R =0.107, wR =0.090 for 881 observed reflections. The compound is derived from a novel form of the monopropellant oxalohydroxamic acid. The two exocyclic C-O bond lengths of 1.240 (3) and 1.228 (4)A indicate double bonds. The C-N bond lengths of 1.334 (4), 1.390 (4) and 1.359 (4) A are characteristic of the amide bond. The N atom covalently bonded to the two carbonyl C atoms acts as a proton donor in an intermolecular hydrogen bond to the ring O atom: N1...O3i = 2.854 ]k (i =x-- 1,y, z), H...O = 2.15 A, N-H...O = 159 °.

Item Type:	Editorials/Short Communications
Publication:	Acta Crystallographica Section C
Publisher:	International Union of Crystallography
Additional Information:	Copyright of this article belongs to International Union of Crystallography.
Department/Centre:	Division of Chemical Sciences > Sophisticated Instruments Facility (Continued as NMR Research Centre) Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering) Division of Physical & Mathematical Sciences > Physics
Date Deposited:	05 Oct 2010 08:03
Last Modified:	05 Oct 2010 08:03
URI:	http://eprints.iisc.ac.in/id/eprint/32951

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