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Crystal structure of 7,8-benzocoumarin-4-acetic acid.

ABSTRACT: The fused-ring system in the title compound [systematic name: 2-(2-oxo-2H-benzo[h]chromen-4-yl)acetic acid], C15H10O4, is almost planar (r.m.s. deviation = 0.031?Å) and the Car-C-C=O (ar = aromatic) torsion angle for the side chain is -134.4?(3)°. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds, generating [100] C(8) chains, where the acceptor atom is the exocyclic O atom of the fused-ring system. The packing is consolidated by a very weak C-H?O hydrogen bond to the same acceptor atom. Together, these inter-actions lead to undulating (001) layers in the crystal.

SUBMITTER: Swamy RR

PROVIDER: S-EPMC4571427 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 7,8-benzocoumarin-4-acetic acid.

Swamy R Ranga RR Gowda Ramakrishna R Gowda K V Arjuna KV Basanagouda Mahantesha M

Acta crystallographica. Section E, Crystallographic communications 20150731 Pt 8

The fused-ring system in the title compound [systematic name: 2-(2-oxo-2H-benzo[h]chromen-4-yl)acetic acid], C15H10O4, is almost planar (r.m.s. deviation = 0.031 Å) and the Car-C-C=O (ar = aromatic) torsion angle for the side chain is -134.4 (3)°. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds, generating [100] C(8) chains, where the acceptor atom is the exocyclic O atom of the fused-ring system. The packing is consolidated by a very weak C-H⋯O hydrogen bond to the same acceptor a ...[more]

PMID: 26396827

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