Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)


organic compounds



lh5388 scheme

Acta Cryst. (2012). E68, o180-o181    [ doi:10.1107/S1600536811053554 ]

6-Ethyl-N-methyl-3-nitro-4-nitromethyl-4H-chromen-2-amine

J. Muthukumaran, A. Parthiban, H. Surya Prakash Rao and R. Krishna

Abstract: In the title compound, C13H15N3O5, the O and N atoms of the nitromethyl group and the methyl C atom of the ethyl group are disordered over two sets of sites with refined occupancies of 0.629 (7):0.371 (7) and 0.533 (8):0.467 (8), respectively. The dihydropyran ring has an extremely flattened conformation. An intramolecular N-H...O hydrogen bond occurs. In the crystal, pairs of N-H...O hydrogen bonds link molecules, forming inversion dimers. In addition, weak intermolecular C-H...O hydrogen bonds are also present.


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