Saha, S. ; Samanta, A. (1999) 4-Heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole Acta Crystallographica Section C, 55 . pp. 252-254. ISSN 0108-2701

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Official URL: http://scripts.iucr.org/cgi-bin/paper?de1090

Related URL: http://dx.doi.org/10.1107/S0108270198012128


The title compound, C13H16N4O3, crystallized in the P1 (No. 2) space group from ethyl acetate. The asymmetric unit contains two molecules with similar geometry. The cyclic amino moieties of the two independent molecules are in the boat-chair conformation and the amino-N atom is not in the plane of the aromatic ring. The bond distance between the amino N and the attached C atom of the 7-nitrobenzofurazan system is shorter than a normal C-N single bond. The other C-N bond, Which connects the nitro group with the ring, is also shorter than usual.

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