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4-Hydr-oxy-3-meth-oxy-5-nitro-aceto-phenone (5-nitro-apocynin).

ABSTRACT: The title mol-ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O-H⋯(O,O) hydrogen bond, with the intra-molecular component to a nitro O atom and the inter-molecular component to a keto O atom, the latter resulting in chains along [20]. A C-H⋯O inter-action reinforces the packing.

SUBMITTER: Babu S

PROVIDER: S-EPMC2969931 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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4-Hydr-oxy-3-meth-oxy-5-nitro-aceto-phenone (5-nitro-apocynin).

Babu Sainath S Raghavamenon Achuthan C AC Fronczek Frank R FR Uppu Rao M RM

Acta crystallographica. Section E, Structure reports online 20090829 Pt 9

The title mol-ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O-H⋯(O,O) hydrogen bond, with the intra-molecular component to a nitro O atom and the inter-molecular component to a keto O atom, the latter resulting in chains along [20]. A C-H⋯O inter-action reinforces the packing. ...[more]

PMID: 21577684

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