Abstract
In the title compound, C14H8N4O6, 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].
Highlights
Fundação Oswaldo Cruz, Instituto de Tecnologia em, Fármacos–Farmanguinhos, R
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 – interactions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069 (7) Å]
H atoms treated by a mixture of independent and constrained refinement max = 0.38 e Å3
Summary
R factor = 0.034; wR factor = 0.101; data-to-parameter ratio = 13.4. C14H8N4O6, 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 =. 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 – interactions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069 (7) Å]
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
