4-(piperidin-1-yl)-4H-benzo[b]tetrazolo-[1,5-d][1,4]diazepin-5(6H)-one

Gary S. Nichol, Zhigang Xu, Christine E. Kaiser, Christopher Hulme

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

There are two crystallographically unique molecules present in the asymmetric unit of the title compound, C14H16N 6O; in both molecules, the seven-membered diazepinone ring adopts a boat-like conformation and the chair conformation piperidine ring is an axial substituent on the diazepinone ring. In the crystal, each molecule forms hydrogen bonds with its respective symmetry equivalents. Hydrogen bonding between molecule A and symmetry equivalents forms two ring motifs, the first formed by inversion-related n-h ⋯ o interactions and the second formed by c-h ⋯ o and c-h⋯n interactions. The combination of both ring motifs results in the formation of an infinite double tape, which propagates in the a-axis direction. hydrogen bonding between molecule B and symmetry equivalents forms one ring motif by inversion-related n-h ⋯ o interactions and a second ring motif by c-h ⋯ o interactions, which propagate as a single tape parallel with the c axis.

Original languageEnglish (US)
Pages (from-to)o23-o24
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number1
DOIs
StatePublished - Jan 2011

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

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