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6,8-Dichloro-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.

ABSTRACT: In the title compound, C(11)H(9)Cl(2)N(3)O(5), the dihydro-pyran ring adopts a near-half-chair conformation. The benzene ring makes a torsion angle of 5.02 (5)° with the dihydro-pyran ring. Adjacent mol-ecules are inter-linked through inter-molecular C-H⋯O, N-H⋯O and C-Cl⋯π [3.4743 (9) Å] inter-actions. The inter-molecular N-H⋯O hydrogen bond generates an R(2) (2)(12) motif, which is observed to contribute to the crystal packing stability. Moreover, the mol-ecular structure displays an S(6) motif formed by intra-molecular N-H⋯O hydrogen bonding.

SUBMITTER: Muthukumaran J

PROVIDER: S-EPMC3099939 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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6,8-Dichloro-N-methyl-3-nitro-4-nitro-methyl-4H-chromen-2-amine.

Muthukumaran J J Parthiban A A Kannan M M Rao H Surya Prakash HS Krishna R R

Acta crystallographica. Section E, Structure reports online 20110315 Pt 4

In the title compound, C(11)H(9)Cl(2)N(3)O(5), the dihydro-pyran ring adopts a near-half-chair conformation. The benzene ring makes a torsion angle of 5.02 (5)° with the dihydro-pyran ring. Adjacent mol-ecules are inter-linked through inter-molecular C-H⋯O, N-H⋯O and C-Cl⋯π [3.4743 (9) Å] inter-actions. The inter-molecular N-H⋯O hydrogen bond generates an R(2) (2)(12) motif, which is observed to contribute to the crystal packing stability. Moreover, the mol-ecular structure displays an S(6) moti ...[more]

PMID: 21754173

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