The title compound (PhNHNH)2C=OCH3CN has been prepared and characterized by elemental analysis and IR spectrum studies. The single-crystal X-ray structure determination of the title compound was carried out. It crysta...The title compound (PhNHNH)2C=OCH3CN has been prepared and characterized by elemental analysis and IR spectrum studies. The single-crystal X-ray structure determination of the title compound was carried out. It crystallizes in the monoclinic system, space group P21/n with a = 5.7818(2), b = 15.320(1), c = 17.469(1) ? b = 97.476(1)? V = 1534.2(1) 3, Mr = 283.34 (C15H17N5O), Z = 4, Dc = 1.227 g/cm3 , F(000) = 600, ?= 0.082 mm-1, R = 0.0561 and wR = 0.1538. The total reflections were 8214 and the independent ones were 2624 (Rint = 0.0559), of which 1756 were observed with I > 2s(I). The torsion angles of the important groups (C(6)N(1) N(2)C(7) and C(7)N(3)N(4)C(8)) are 68.3(3) and 93.3(3), respectively. In the crystal lattice, the molecules form a network structure through hydrogen bonds. The crystal structure is stabilized by NH…N and NH…O hydrogen bonds. FT-IR spectra clearly show there exist acetonitrile molecules in the crystal lattice.展开更多
基金the Educational Administration Key Project of Shandong province (No. J01C05) and the Outstanding Adult-Young Scientific Research Encouraging Foundation of Shandong province (No. O1BS18)
文摘The title compound (PhNHNH)2C=OCH3CN has been prepared and characterized by elemental analysis and IR spectrum studies. The single-crystal X-ray structure determination of the title compound was carried out. It crystallizes in the monoclinic system, space group P21/n with a = 5.7818(2), b = 15.320(1), c = 17.469(1) ? b = 97.476(1)? V = 1534.2(1) 3, Mr = 283.34 (C15H17N5O), Z = 4, Dc = 1.227 g/cm3 , F(000) = 600, ?= 0.082 mm-1, R = 0.0561 and wR = 0.1538. The total reflections were 8214 and the independent ones were 2624 (Rint = 0.0559), of which 1756 were observed with I > 2s(I). The torsion angles of the important groups (C(6)N(1) N(2)C(7) and C(7)N(3)N(4)C(8)) are 68.3(3) and 93.3(3), respectively. In the crystal lattice, the molecules form a network structure through hydrogen bonds. The crystal structure is stabilized by NH…N and NH…O hydrogen bonds. FT-IR spectra clearly show there exist acetonitrile molecules in the crystal lattice.
