3,5-bis[(N,N-dimethylamino)methyl-eneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data

Citation
Vv. Chernyshev et al., 3,5-bis[(N,N-dimethylamino)methyl-eneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data, ACT CRYST C, 56, 2000, pp. 1159-1160
Citations number
10
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS
ISSN journal
01082701 → ACNP
Volume
56
Year of publication
2000
Part
9
Pages
1159 - 1160
Database
ISI
SICI code
0108-2701(200009)56:<1159:3FX>2.0.ZU;2-G
Abstract
The structure of the title compound, C10H17N7O2, was determined using a bon d-restrained Rietveld refinement which gave bond lengths and angles within the expected ranges. Although the two nearly planar (N,N-dimethylamino)meth yleneamino groups are inclined at approximately 46 degrees to the pyrazole ring, the conformations of the two amino chains are different, owing to eit her a repulsion effect of the pyrazole-methyl group or a short interatomic contact with the nitro group in one of the chains.