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Ethyl 5-bromo-3-eth-oxy-carbonyl-amino-1-benzofuran-2-carboxyl-ate.

ABSTRACT: In the title compound, C14H14BrNO5, the ester group is disordered [occupancy ratio 0.52?(2):0.48?(2)]. The major component is nearly coplanar with the benzofuran plane, subtending a dihedral angle of 7.84?(2)°, while the amide group is twisted out of the benzofuran plane making a dihedral angle of 39.69?(2)°. An intra-molecular N-H?O hydrogen bond occurs. In the crystal, pairs of weak C-H?O hydrogen bonds link the mol-ecules into inversion dimers, which are further linked via strong N-H?O hydrogen bonds, generating a zigzag chain extending along [100].

SUBMITTER: Karunakar P

PROVIDER: S-EPMC3588419 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature

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Ethyl 5-bromo-3-eth-oxy-carbonyl-amino-1-benzofuran-2-carboxyl-ate.

Karunakar Prashantha P Krishnamurthy V V Girija C R CR Krishna V V Vaidya V P VP Yamuna A J AJ

Acta crystallographica. Section E, Structure reports online 20130206 Pt 3

In the title compound, C14H14BrNO5, the ester group is disordered [occupancy ratio 0.52 (2):0.48 (2)]. The major component is nearly coplanar with the benzofuran plane, subtending a dihedral angle of 7.84 (2)°, while the amide group is twisted out of the benzofuran plane making a dihedral angle of 39.69 (2)°. An intra-molecular N-H⋯O hydrogen bond occurs. In the crystal, pairs of weak C-H⋯O hydrogen bonds link the mol-ecules into inversion dimers, which are further linked via strong N-H⋯O hydrog ...[more]

PMID: 23476536

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