Yin Li-He, Wan Rong, Han Feng, Wang Bin, Wang Jin-Tang
Department of Applied Chemistry, College of Science, Nanjing University of Technology, No. 5 Xinmofan Road, Nanjing 210009, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2008 Jul 5;64(Pt 8):o1376. doi: 10.1107/S1600536808017364.
The title compound, C(20)H(23)N(4)O(6)PS, was synthesized by the reaction of N-(4-methoxy-benzyl-idene)-5-(4-nitro-phen-yl)-1,3,4-thia-diazol-2-amine and diethyl phosphite. The thia-diazole and nitro-substituted phenyl rings in the mol-ecule are approximately coplanar, the dihedral angle being 5.3 (2)°. The dihedral angle formed by the mean plane through all non-H atoms of both the thia-diazole and the nitro-substituted phenyl ring with the plane of the meth-oxy-substituted phenyl ring is 48.9 (2)°. In the crystal structure, mol-ecules form centrosymmetric dimers as a result of N-H⋯O bonds involving amine H and phosphine oxide O atoms.
标题化合物C(20)H(23)N(4)O(6)PS是由N-(4-甲氧基-亚苄基)-5-(4-硝基-苯基)-1,3,4-噻二唑-2-胺与亚磷酸二乙酯反应合成的。分子中的噻二唑环和硝基取代的苯环近似共面，二面角为5.3 (2)°。由噻二唑环和硝基取代的苯环的所有非H原子构成的平均平面与甲氧基取代的苯环平面形成的二面角为48.9 (2)°。在晶体结构中，分子通过涉及胺H原子和氧化膦O原子的N-H⋯O键形成中心对称二聚体。
