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

Authors :
Christopher Hulme
Christine E. Kaiser
Zhigang Xu
Gary S. Nichol
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

Subjects :
Crystallography
QD901-999

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