Edward R.T. Tiekink*, James L. Wardell

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    2 Citations (Scopus)
    7 Downloads (Pure)


    In the title compound, C14H8N4O6, the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018Å) is coplanar with the attached benzene ring [dihedral angle = 0.81(4)°], there being an intramolecular N - HN 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 - HO hydrogen bonds lead to centrosymmetric dimeric aggregates that are connected into a three-dimensional architecture by oxazinyl-nitro C - HO and π-π interactions [inter-centroid distance between the oxazinyl and terminal benzene rings = 3.5069(7)Å].

    Original languageEnglish
    Pages (from-to)o158-o159
    Number of pages2
    JournalActa Crystallographica Section E: Structure Reports Online
    Issue number2
    Early online date18 Jan 2014
    Publication statusPublished - Feb 2014


    • data-to-parameter ratio = 13.4
    • mean σ(C-C) = 0.002 Å
    • R factor = 0.034
    • single-crystal X-ray study
    • T = 100 K
    • wR factor = 0.101


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