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1-(4-Chloro-phen-yl)-2-(1,3-diazepan-2-yl-idene)ethanone.

ABSTRACT: In the title compound, C13H15ClN2O, there are two crystallographically independent but conformationally similar (E)-mol-ecules in the asymmetric unit [dihedral angles between the phenyl ring and a common planar fragment of the 1,3-diazepane moiety = 47.34?(16) and 48.00?(16)°]. The seven-membered ring system adopts a chair conformation in both molecules. In the crystal, N-H?O hydrogen bonds lead to chains extending along the b-axis direction.

SUBMITTER: Zhang XW

PROVIDER: S-EPMC3685108 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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1-(4-Chloro-phen-yl)-2-(1,3-diazepan-2-yl-idene)ethanone.

Zhang Xiao-Wei XW Xia Jian-Hui JH Xu Zhao-Hui ZH Wang Li-Ben LB Yu Chu-Yi CY

Acta crystallographica. Section E, Structure reports online 20130525 Pt 6

In the title compound, C13H15ClN2O, there are two crystallographically independent but conformationally similar (E)-mol-ecules in the asymmetric unit [dihedral angles between the phenyl ring and a common planar fragment of the 1,3-diazepane moiety = 47.34 (16) and 48.00 (16)°]. The seven-membered ring system adopts a chair conformation in both molecules. In the crystal, N-H⋯O hydrogen bonds lead to chains extending along the b-axis direction. ...[more]

PMID: 23795127

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