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T-3-Ethyl-r-2,c-7-bis-(4-methoxy-phen-yl)-1,4-diazepan-5-one.

ABSTRACT: The title compound, C(21)H(26)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both independent mol-ecules, the diazepine ring adopts a chair conformation. In the crystal, the independent mol-ecules exist as N-H?O hydrogen-bonded R(2) (2)(8) dimers which are linked via N-H?O hydrogen bonds, forming tetra-mers. The tetra-mers are linked by C-H?O hydrogen bonds. In one of the molecules in the asymmetric unit, the terminal C atom of the ethyl group is disordered over two positions with refined occupancies of 0.742?(4) and 0.258?(4).

SUBMITTER: Ravichandran K

PROVIDER: S-EPMC2971068 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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t-3-Ethyl-r-2,c-7-bis-(4-methoxy-phen-yl)-1,4-diazepan-5-one.

Ravichandran K K Ramesh P P Sethuvasan S S Ponnuswamy S S Ponnuswamy M N MN

Acta crystallographica. Section E, Structure reports online 20091028 Pt 11

The title compound, C(21)H(26)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. In both independent mol-ecules, the diazepine ring adopts a chair conformation. In the crystal, the independent mol-ecules exist as N-H⋯O hydrogen-bonded R(2) (2)(8) dimers which are linked via N-H⋯O hydrogen bonds, forming tetra-mers. The tetra-mers are linked by C-H⋯O hydrogen bonds. In one of the molecules in the asymmetric unit, the terminal C atom of the ethyl group is disordered ove ...[more]

PMID: 21578470

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