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2-Hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one.

ABSTRACT: The title compound, also known as 7-nitro-tropolone, C7H5NO4, exists in the crystalline state as the 2-hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one tautomer and not as 2-hy-droxy-3-nitro-cyclo-hepta-2,4,6-trien-1-one. The dihedral angle between the ring and the nitro group is 70.3?(2)°. In the crystal, neighbouring mol-ecules are linked into dimers by a pair of O-H?O hydrogen bonds. In addition, the crystal is stabilized by O?? [3.4039?(14)?Å] and O?O [3.073?(2)?Å] inter-actions.

SUBMITTER: Lyczko K

PROVIDER: S-EPMC3629590 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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2-Hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one.

Lyczko Krzysztof K Lyczko Monika M

Acta crystallographica. Section E, Structure reports online 20130316 Pt 4

The title compound, also known as 7-nitro-tropolone, C7H5NO4, exists in the crystalline state as the 2-hy-droxy-7-nitro-cyclo-hepta-2,4,6-trien-1-one tautomer and not as 2-hy-droxy-3-nitro-cyclo-hepta-2,4,6-trien-1-one. The dihedral angle between the ring and the nitro group is 70.3 (2)°. In the crystal, neighbouring mol-ecules are linked into dimers by a pair of O-H⋯O hydrogen bonds. In addition, the crystal is stabilized by O⋯π [3.4039 (14) Å] and O⋯O [3.073 (2) Å] inter-actions. ...[more]

PMID: 23634077

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