TY - JOUR
T1 - 4-(piperidin-1-yl)-4H-benzo[b]tetrazolo-[1,5-d][1,4]diazepin-5(6H)-one
AU - Nichol, Gary S.
AU - Xu, Zhigang
AU - Kaiser, Christine E.
AU - Hulme, Christopher
PY - 2011/1
Y1 - 2011/1
N2 - 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.
AB - 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.
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U2 - 10.1107/S1600536810049950
DO - 10.1107/S1600536810049950
M3 - Article
C2 - 21522729
AN - SCOPUS:78650755194
VL - 67
SP - o23-o24
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 1
ER -