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1-Benzyl-1,4-diazepan-5-one.

ABSTRACT: The title compound, C(12)H(16)N(2)O, is a diazepane inter-mediate that can be used as an inhibitor of human nitric oxide synthesis. In the mol-ecule, the seven-membered ring has a chair-like conformation and the two rings are approximately perpendicular to one another, with a C-N-C-C torsion angle of 77.8?(4)°. Inter-molecular N-H?O hydrogen bonds link the mol-ecules into dimers around a centre of symmetry, with C-H?O inter-actions linking the dimers into infinite sheets.

SUBMITTER: Sha F

PROVIDER: S-EPMC2960785 | biostudies-literature | 2008 Feb

REPOSITORIES: biostudies-literature

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1-Benzyl-1,4-diazepan-5-one.

Sha Fei F Xu Hao H Liu Shan S Wang Peng P Wang Jin-Tang JT

Acta crystallographica. Section E, Structure reports online 20080208 Pt 3

The title compound, C(12)H(16)N(2)O, is a diazepane inter-mediate that can be used as an inhibitor of human nitric oxide synthesis. In the mol-ecule, the seven-membered ring has a chair-like conformation and the two rings are approximately perpendicular to one another, with a C-N-C-C torsion angle of 77.8 (4)°. Inter-molecular N-H⋯O hydrogen bonds link the mol-ecules into dimers around a centre of symmetry, with C-H⋯O inter-actions linking the dimers into infinite sheets. ...[more]

PMID: 21201912

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