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3-(3-Chloro-prop-yl)-7,8-dimeth-oxy-1H-3-benzazepin-2(3H)-one at 125?K.

ABSTRACT: In the title compound, C(15)H(18)ClNO(3), the seven-membered ring has a mirror plane passing through the methyl-ene C atom and bis-ecting the C=C bond. It adopts a bent conformation, inter-mediate between the boat and chair forms. Both meth-oxy groups are coplanar with the attached benzene ring [C-C-O-C = -0.5?(3) and 2.2?(3)°]. In the crystal structure, inversion-related mol-ecules are linked via C-H?O hydrogen bonds and ?-? inter-actions involving the benzene ring [centroid-centroid distance = 3.6393?(12)Å].

SUBMITTER: Cheng XW

PROVIDER: S-EPMC2961294 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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3-(3-Chloro-prop-yl)-7,8-dimeth-oxy-1H-3-benzazepin-2(3H)-one at 125 K.

Cheng Xiang-Wei XW

Acta crystallographica. Section E, Structure reports online 20080426 Pt 5

In the title compound, C(15)H(18)ClNO(3), the seven-membered ring has a mirror plane passing through the methyl-ene C atom and bis-ecting the C=C bond. It adopts a bent conformation, inter-mediate between the boat and chair forms. Both meth-oxy groups are coplanar with the attached benzene ring [C-C-O-C = -0.5 (3) and 2.2 (3)°]. In the crystal structure, inversion-related mol-ecules are linked via C-H⋯O hydrogen bonds and π-π inter-actions involving the benzene ring [centroid-centroid distance = ...[more]

PMID: 21202388

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