Journal Article

Print(0)

Acta crystallographica.Section E, Structure reports online

Acta Crystallogr.Sect.E.Struct.Rep.Online

4-Dec

67

Pt 1

o23

4

LR: 20111209; JID: 101089178; OID: NLM: PMC3050344; 2010/11/15 [received]; 2010/11/29 [accepted]; 2010/12/04 [epublish]; epublish

England

1600-5368; 1600-5368

PMID: 21522729

eng

Journal Article

10.1107/S1600536810049950 [doi]

Unknown(0)

21522729

There are two crystallographically unique mol-ecules present in the asymmetric unit of the title compound, C(14)H(16)N(6)O; in both mol-ecules, 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 mol-ecule forms hydrogen bonds with its respective symmetry equivalents. Hydrogen bonding between mol-ecule A and symmetry equivalents forms two ring motifs, the first formed by inversion-related N-Hcdots, three dots, centeredO inter-actions and the second formed by C-Hcdots, three dots, centeredO and C-Hcdots, three dots, centeredN inter-actions. 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 mol-ecule B and symmetry equivalents forms one ring motif by inversion-related N-Hcdots, three dots, centeredO inter-actions and a second ring motif by C-Hcdots, three dots, centeredO inter-actions, which propagate as a single tape parallel with the c axis.

Nichol,G. S., Xu,Z., Kaiser,C. E., Hulme,C.

20101204

PMC3050344

http://vp9py7xf3h.search.serialssolutions.com/?charset=utf-8&pmid=21522729

2010