Journal of Crystallography

Research Article

Quantitative Crystal Structure Analysis of (E)-1-[(2-Chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine

Table 1

Crystallographic and refinement data.
FormulaC6H8N5O2ClS
Formula weight249.68
Wavelength ( )0.71073
Temperature (K)100(2)
Solvent systemMethanol
CCDC number943833
Crystal systemTriclinic
Space group -1
, , ( )7.2424(3), 7.9943(3), 9.2677(4)
, , (°)86.667(2), 79.259(2), 73.175(2)
( )504.61(4)
2
Density (g cm−3)1.643
(mm−1)0.574
(000)256
(min, max)2.83, 22.63
Treatment of hydrogensFixed
min,max, min,max, min,max(−9, 9), (−10, 9), (−9, 12)
Number. of ref.8323
Number of unique ref./ obs. ref.2299, 2132
Number of parameters137
_all, _obs0.0306, 0.0283
_all, _obs0.0755, 0.0740
Δ min,max ( )−0.327, 0.232
G. o. F1.086