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1-[(E)-4-(5-Bromo-1H-indol-3-yl)-1-methyl-2,5,6,7-tetra-hydro-1H-azepin-2-yl-idene]propan-2-one.

ABSTRACT: In the title compound, C(18)H(19)BrN(2)O, the seven-membered azepine ring adopts a twist-boat conformation: the bond angles about the azepine N atom are indicative of sp(2) hybridization. The dihedral angle between the plane of the carbon-carbon double bond of the enone unit and the mean plane of the indole ring is 27.8?(1)°. In the crystal, an N-H?O hydrogen bond links the mol-ecules into chains along the b axis.

SUBMITTER: Helliwell M

PROVIDER: S-EPMC3007022 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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1-[(E)-4-(5-Bromo-1H-indol-3-yl)-1-methyl-2,5,6,7-tetra-hydro-1H-azepin-2-yl-idene]propan-2-one.

Helliwell Madeleine M Aghazadeh Masomeh M Baradarani Mehdi M MM Joule John A JA

Acta crystallographica. Section E, Structure reports online 20100605 Pt 7

In the title compound, C(18)H(19)BrN(2)O, the seven-membered azepine ring adopts a twist-boat conformation: the bond angles about the azepine N atom are indicative of sp(2) hybridization. The dihedral angle between the plane of the carbon-carbon double bond of the enone unit and the mean plane of the indole ring is 27.8 (1)°. In the crystal, an N-H⋯O hydrogen bond links the mol-ecules into chains along the b axis. ...[more]

PMID: 21587781

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