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4-(Piperidin-1-yl)-4H-benzo[b]tetrazolo[1,5-d][1,4]diazepin-5(6H)-one
- Source :
- Acta Crystallographica Section E, Vol 67, Iss 1, Pp o23-o24 (2011)
- Publication Year :
- 2011
- Publisher :
- International Union of Crystallography, 2011.
-
Abstract
- There are two crystallographically unique molecules present in the asymmetric unit of the title compound, C14H16N6O; 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.
- Subjects :
- Crystallography
QD901-999
Subjects
Details
- Language :
- English
- ISSN :
- 16005368
- Volume :
- 67
- Issue :
- 1
- Database :
- Directory of Open Access Journals
- Journal :
- Acta Crystallographica Section E
- Publication Type :
- Academic Journal
- Accession number :
- edsdoj.35e2cc090e1f4734bb72d1b26fc76aea
- Document Type :
- article
- Full Text :
- https://doi.org/10.1107/S1600536810049950