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

ABSTRACT: In the title compound, C(13)H(15)N(3)O(5), the O and N atoms of the nitro-methyl 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 dihydro-pyran ring has an extremely flattened conformation. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, pairs of N-H?O hydrogen bonds link mol-ecules, forming inversion dimers. In addition, weak inter-molecular C-H?O hydrogen bonds are also present.

SUBMITTER: Muthukumaran J

PROVIDER: S-EPMC3254519 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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

Muthukumaran J J Parthiban A A Surya Prakash Rao H H Krishna R R

Acta crystallographica. Section E, Structure reports online 20111221 Pt 1

In the title compound, C(13)H(15)N(3)O(5), the O and N atoms of the nitro-methyl 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 dihydro-pyran ring has an extremely flattened conformation. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, pairs of N-H⋯O hydrogen bonds link mol-ecules, forming inversion dimers. In addition, weak inter-molecular C-H⋯O hydroge ...[more]

PMID: 22259465

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