结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2002年
3期
249-251
,共3页
4,5-diazafluorene-9-one azinhe,crystal structure,protonation,coordination ability
Crystals of the title compound C22H12N6@2HCl@2H2O (DAA@HCl) were obtained from a HCl aqueous solution of 4, 5-diazafluorene-9-one azine. The crystal belongs to monoclinic, space group P21/c with a = 5.203(3), b = 8.991(3), c = 22.17(1) ?, ( = 92.13(4)°, V = 1036.2(9) ?3, Z = 2, C22H18N6O2Cl2, Mr = 468.1, Dc = 1.503 g/cm3, F(000) = 484, ((MoK() = 0.344 mm-1, R = 0.052 and wR = 0.056 for 755 observed reflections. The Cl…N(2) distance of 2.999(6) ? And Cl…H-N(2) angle of 160.8(8)o imply the existence of a stronger H-bond between Cl and DAA. And both the rather longer Cl-H distance of 1.814(2) ? And the unexpected shorter N(2)-H distance of 1.236(6) ? Suggest the protonation of DAA molecule and explain the weak coordination ability of DAA to a metal center in the acidic solution.
