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Tert-Butyl 3-(8-bromo-4H,10H-1,2-oxazolo[4,3-c][1]benzoxepin-10-yl)-2-methyl-1H-indole-1-carboxyl-ate.

ABSTRACT: In the title compound, C(25)H(23)BrN(2)O(4), the seven-membered ring adopts a twisted-boat conformation. The indole ring system is planar within 0.021?(2)?Å and the ester group [-C(=O)-O-C-] is almost coplanar with it [dihedral angle = 3.0?(2)°]. The conformation of the ester group is influenced by intra-molecular C-H?O inter-actions. In the crystal structure, mol-ecules are linked into chains along the b axis by C-H?N hydrogen bonds.

SUBMITTER: Trigunait A

PROVIDER: S-EPMC3007347 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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tert-Butyl 3-(8-bromo-4H,10H-1,2-oxazolo[4,3-c][1]benzoxepin-10-yl)-2-methyl-1H-indole-1-carboxyl-ate.

Trigunait Ankur A Malathy P P Ramachandiran K K Perumal P T PT Gunasekaran K K

Acta crystallographica. Section E, Structure reports online 20100717 Pt 8

In the title compound, C(25)H(23)BrN(2)O(4), the seven-membered ring adopts a twisted-boat conformation. The indole ring system is planar within 0.021 (2) Å and the ester group [-C(=O)-O-C-] is almost coplanar with it [dihedral angle = 3.0 (2)°]. The conformation of the ester group is influenced by intra-molecular C-H⋯O inter-actions. In the crystal structure, mol-ecules are linked into chains along the b axis by C-H⋯N hydrogen bonds. ...[more]

PMID: 21588344

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