4-heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole

Citation
S. Saha et A. Samanta, 4-heptamethyleneimino-7-nitrobenzo-2-oxa-1,3-diazole, ACT CRYST C, 55, 1999, pp. 252-254
Citations number
6
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
55
Year of publication
1999
Part
2
Pages
252 - 254
Database
ISI
SICI code
0108-2701(19990215)55:<252:4>2.0.ZU;2-X
Abstract
The title compound, C13H16N4O3, crystallized in the P (1) over bar (No. 2) space group from ethyl acetate. The asymmetric unit contains two molecules with similar geometry. The cyclic amino moieties of the two independent mol ecules are in the boat-chair conformation and the amino-N atom is not in th e plane of the aromatic ring. The bond distance between the amino N and the attached C atom of the 7-nitrobenzofurazan system is shorter than a normal C-N single bond. The other C-N bond, which connects the nitro group with t he ring, is also shorter than usual.