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3,4-Dimethyl-1H-1,2,4-triazepino[2,3-a]benzimidazol-2(3H)-one.

ABSTRACT: In the mol-ecule of the title compound, C(12)H(12)N(4)O, a C atom and an N atom of the benzimidazole fused-ring portion are part of a seven-membered ring; this ring adopts a boat-shaped conformation (with the fused-ring atoms representing the stern and the sp(3)-hybridized C atom the prow). The amino group is a hydrogen-bond donor to the imidazole group of an inversion-related mol-ecule, the pair of N-H?N hydrogen bonds giving rise to a hydrogen-bonded dimer.

SUBMITTER: Saber A

PROVIDER: S-EPMC2979075 | biostudies-literature | 2010 Apr

REPOSITORIES: biostudies-literature

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3,4-Dimethyl-1H-1,2,4-triazepino[2,3-a]benzimidazol-2(3H)-one.

Saber Asmae A Al Subari Abdusalam A Zouihri Hafid H Essassi El Mokhtar el M Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20100417 Pt 5

In the mol-ecule of the title compound, C(12)H(12)N(4)O, a C atom and an N atom of the benzimidazole fused-ring portion are part of a seven-membered ring; this ring adopts a boat-shaped conformation (with the fused-ring atoms representing the stern and the sp(3)-hybridized C atom the prow). The amino group is a hydrogen-bond donor to the imidazole group of an inversion-related mol-ecule, the pair of N-H⋯N hydrogen bonds giving rise to a hydrogen-bonded dimer. ...[more]

PMID: 21579146

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