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

ABSTRACT: In the title compound, C(12)H(13)N(3)O(6), the dihydro-pyran ring adopts a near screw-boat conformation. The dihedral angle between the mean planes of the benzene and dihydro-pyran rings is 6.35?(5)°. An intra-molecular N-H?O hydrogen bond generates an S(6) motif, which stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H?O, N-H?O and C-H?? hydrogen bonds contribute to the stabilization of the packing.

SUBMITTER: Muthukumaran J

PROVIDER: S-EPMC3089089 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other

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

Muthukumaran J J Parthiban A A Manivel P P Rao H Surya Prakash HS Krishna R R

Acta crystallographica. Section E, Structure reports online 20110429 Pt 5

In the title compound, C(12)H(13)N(3)O(6), the dihydro-pyran ring adopts a near screw-boat conformation. The dihedral angle between the mean planes of the benzene and dihydro-pyran rings is 6.35 (5)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) motif, which stabilizes the mol-ecular conformation. In the crystal, weak inter-molecular C-H⋯O, N-H⋯O and C-H⋯π hydrogen bonds contribute to the stabilization of the packing. ...[more]

PMID: 21754559

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