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3-Bromo-2-hy-droxy-benzaldehyde.

ABSTRACT: The mol-ecule of the title compound, C(7)H(5)BrO(2), is almost planar (r.m.s. deviation from the plane of all the non-H atoms = 0.0271 Å) and displays intra-molecular O-H⋯O hydrogen bonding between the phenol group and the aldehyde O atom. Packing is directed by weak inter-molecular C-H⋯Br inter-actions and π-stacking between nearly parallel mol-ecules [dihedral angle = 5.30 (6)° and centroid-centroid distance = 3.752 (1) Å].

SUBMITTER: Metlay JB

PROVIDER: S-EPMC3414939 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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3-Bromo-2-hy-droxy-benzaldehyde.

Metlay Jessica B JB Tanski Joseph M JM

Acta crystallographica. Section E, Structure reports online 20120718 Pt 8

The mol-ecule of the title compound, C(7)H(5)BrO(2), is almost planar (r.m.s. deviation from the plane of all the non-H atoms = 0.0271 Å) and displays intra-molecular O-H⋯O hydrogen bonding between the phenol group and the aldehyde O atom. Packing is directed by weak inter-molecular C-H⋯Br inter-actions and π-stacking between nearly parallel mol-ecules [dihedral angle = 5.30 (6)° and centroid-centroid distance = 3.752 (1) Å]. ...[more]

PMID: 22904926

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