Acta Crystallographica Section C

Crystal Structure Communications

Volume 56, Part 9 (September 2000)

organic compounds

 

Azole. 44. Über Morpholinonitroimidazolderivate

A. Gzella, U. Wrzeciono und W. Pöppel

Abstract: The structure analyses of racemic 3-chloro-1-(4-morpholino-5-nitroimidazol-1-yl)propan-2-ol, C₁₀H₁₅ClN₄O₄, (II), and 3-chloro-1-(5-morpholino-4-nitroimidazol-1-yl)propan-2-ol, C₁₀H₁₅ClN₄O₄, (III), have been undertaken in order to determine the position of the morpholine residue in these two isomers. The morpholine residue in (II) is connected at the 4-position, while in (III), it is connected at the 5-position of the imidazole ring. The morpholine mean planes and nitro groups in the two compounds deviate from the imidazole planes to different extents. The nitro groups in (II) and (III) take part in the conjugation system of the imidazole rings. In consequence, the exocyclic C-N bonds are significantly shorter than the normal single Csp²-NO₂ bond and the nitro groups in (II) and (III) show an extraordinary stability on treatment with morpholine and piperidine [Gzella, Wrzeciono & Pöppel (1999). Acta Cryst. C55, 1562-1565]. In the crystal lattice, the molecules of both compounds are linked by O-HN and C-HO intermolecular hydrogen bonds.

Formula: C₁₀H₁₅ClN₄O₄

	Structure factor file (CIF format) (110.4 kbytes) Contains datablock II
	Structure factor file (CIF format) (112.1 kbytes) Contains datablock III

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