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Crystal structure of 3-ethynyl-benzoic acid.

ABSTRACT: In the title compound, C9H6O2, the carb-oxy-lic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49?(18)°. In the crystal, mol-ecules are linked by pairs of O-H?O hydrogen bonds, forming classical acid-acid inversion dimers, with an R 2 (2)(8) ring motif. The dimers are linked by pairs of C-H?O hydrogen bonds forming chains, enclosing R 2 (2)(16) ring motifs, propagating along the c-axis direction.

SUBMITTER: Venturini C

PROVIDER: S-EPMC4647427 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 3-ethynyl-benzoic acid.

Venturini Chiara C Ratel-Ramond Nicolas N Gourdon Andre A

Acta crystallographica. Section E, Crystallographic communications 20150912 Pt 10

In the title compound, C9H6O2, the carb-oxy-lic acid group is almost in the plane of the benzene ring, making a dihedral angle of 2.49 (18)°. In the crystal, mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming classical acid-acid inversion dimers, with an R 2 (2)(8) ring motif. The dimers are linked by pairs of C-H⋯O hydrogen bonds forming chains, enclosing R 2 (2)(16) ring motifs, propagating along the c-axis direction. ...[more]

PMID: 26594457

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