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2-(2-Amino-4-nitrophenyl)-7-nitro-4H-3,1-benzoxazin-4-one
In the title compound, C(14)H(8)N(4)O(6), the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018 Å) is coplanar with the attached benzene ring [dihedral angle = 0.81 (4)°], there being an intramolecular N—H⋯N hydrogen bond between them. Each nitro group is twisted out of the plane of the...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998318/ https://www.ncbi.nlm.nih.gov/pubmed/24764879 http://dx.doi.org/10.1107/S1600536814000609 |
Sumario: | In the title compound, C(14)H(8)N(4)O(6), the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018 Å) is coplanar with the attached benzene ring [dihedral angle = 0.81 (4)°], there being an intramolecular N—H⋯N hydrogen bond between them. Each nitro group is twisted out of the plane of the attached benzene ring [O—N—C—C torsion angles = 167.94 (11) and 170.38 (11)°]. In the crystal, amine–nitro N—H⋯O hydrogen bonds lead to centrosymmetric dimeric aggregates that are connected into a three-dimensional architecture by oxazinyl–nitro C—H⋯O and π–π interactions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069 (7) Å]. |
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