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Ethyl 5-bromo-1-benzofuran-2-carboxyl-ate.

ABSTRACT: In the title compound, C(11)H(9)BrO(3), the benzofuran fused-ring system is almost planar, with a maximum atomic deviation of 0.024?(5)?Å; the carboxyl -CO(2) fragment is aligned at 4.8?(7)° with respect to the fused-ring plane. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure. ?-? stacking is also observed between parallel mol-ecules, the centroid-centroid distance between benzene and furan rings of adjacent mol-ecules being 3.662?(3)?Å.

SUBMITTER: Abdel-Aziz HA

PROVIDER: S-EPMC3052120 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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Ethyl 5-bromo-1-benzofuran-2-carboxyl-ate.

Abdel-Aziz Hatem A HA Bari Ahmed A Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110223 Pt 3

In the title compound, C(11)H(9)BrO(3), the benzofuran fused-ring system is almost planar, with a maximum atomic deviation of 0.024 (5) Å; the carboxyl -CO(2) fragment is aligned at 4.8 (7)° with respect to the fused-ring plane. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. π-π stacking is also observed between parallel mol-ecules, the centroid-centroid distance between benzene and furan rings of adjacent mol-ecules being 3.662 (3) Å. ...[more]

PMID: 21522441

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