2-(2-氨基-1,3-噻唑-4-基)-2-[(Z)-甲氧羰基甲氧基亚氨基]乙酸甲酯
Methyl 2-(2-amino-1,3-thia-zol-4-yl)-2-[(Z)-methoxy-carbonyl-methoxy-imino]ethano-ate.
作者信息
Sharif Shahzad, Tahir M Nawaz, Khan Islam Ullah, Ahmad Sarfraz, Salariya Manan Ayub
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o713. doi: 10.1107/S1600536809007661.
In the mol-ecule of the title compound, C(9)H(11)N(3)O(5)S, the thia-zole ring is oriented at dihedral angles of 87.33 (3) and 87.18 (3)° with respect to the planar (r.m.s. deviations 0.0136 and 0.0139 Å) methyl ester groups. The dihedral angle between the methyl ester groups is 44.20 (3)°. In the crystal structure, inter-molecular N-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules along the a axis, through R(2) (2)(8) and R(2) (2)(22) ring motifs, forming infinite two-dimensional polymeric sheets. π-π Contacts between the thia-zole rings [centroid-centroid distance = 3.536 (2) Å] may further stabilize the structure.
在标题化合物C₉H₁₁N₃O₅S的分子中，噻唑环相对于平面（均方根偏差为0.0136和0.0139 Å）的甲酯基团的二面角分别为87.33（3）°和87.18（3）°。甲酯基团之间的二面角为44.20（3）°。在晶体结构中，分子间的N-H⋯N、N-H⋯O和C-H⋯O氢键沿着a轴通过R₂²（8）和R₂²（22）环基序连接分子，形成无限的二维聚合物片层。噻唑环之间的π-π接触[质心-质心距离 = 3.536（2）Å]可能进一步稳定该结构。
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