（E）-N'-（4-甲氧基-亚苄基）-2-（2-甲基-4-硝基-1H-咪唑-1-基）乙酰肼
(E)-N'-(4-Meth-oxy-benzyl-idene)-2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetohydrazide.
作者信息
Fun Hoong-Kun, Chia Tze Shyang, Frank Priya V, Poojary Mahesha, Kalluraya Balakrishna
机构信息
X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia ; Department of Pharmaceutical Chemistry, College of Pharmacy, King Saud University, Riyadh 11451, Saudi Arabia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2988-9. doi: 10.1107/S1600536812039621. Epub 2012 Sep 22.
In the title compound, C(14)H(15)N(5)O(4), the central -C=N-N-C(=O)-C- bridge is nearly planar [maximum deviation = 0.037 (1) Å] and forms dihedral angles of 7.37 (9) and 73.33 (5)°, respectively, with the benzene and imidazole rings. The dihedral angle between the benzene and imidazole rings is 66.08 (9)°. The meth-oxy and nitro groups are nearly coplanar with the benzene and imidazole rings, respectively, with a C-O-C-C torsion angle of 5.9 (2)° and an O-N-C-C angle of -0.2 (2)°. In the crystal, mol-ecules are linked by a pair of N-H⋯O hydrogen bonds with an R(2) (2)(8) ring motif, forming an inversion dimer. The dimers are further inter-connected by C-H⋯O hydrogen bonds into a sheet parallel to the (111) plane. A C-H⋯π inter-action is also observed between the sheets.
在标题化合物C₁₄H₁₅N₅O₄中，中心-C=N-N-C(=O)-C-桥几乎是平面的[最大偏差 = 0.037 (1) Å]，分别与苯环和咪唑环形成7.37 (9)°和73.33 (5)°的二面角。苯环和咪唑环之间的二面角为66.08 (9)°。甲氧基和硝基分别与苯环和咪唑环近乎共平面，C-O-C-C扭转角为5.9 (2)°，O-N-C-C角为 -0.2 (2)°。在晶体中，分子通过一对具有R₂²(8)环模式的N-H⋯O氢键相连，形成一个反演二聚体。二聚体通过C-H⋯O氢键进一步相互连接成平行于(111)平面的片层。在片层之间还观察到C-H⋯π相互作用。
Zotero 插件