（E）-2-氰基-3-（6-硝基-1,3-苯并二氧杂环戊烯-5-基）丙烯酸甲酯
Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate.
作者信息
Bakthadoss M, Devaraj A, Lakshmanan D, Murugavel S
机构信息
Department of Organic Chemistry, University of Madras, Maraimalai Campus, Chennai 600 025, India ; Department of Chemistry, Pondicherry University, Puducherry 605 014, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Nov 1;68(Pt 11):o3184. doi: 10.1107/S1600536812043164. Epub 2012 Oct 20.
In the title compound, C(12)H(8)N(2)O(6), the 1,3-benzodioxole ring system is essentially planar [maximum deviation = 0.036 (2) Å] and the nitro group is oriented at a dihedral angle of 15.4 (1)° with respect to its mean plane. In the crystal, moleucles are linked into C(8) [101] chains by C-H⋯O hydrogen bonds, and weak aromatic π-π stacking [centroid-centroid distance = 3.887 (1) Å] also occurs.
在标题化合物C₁₂H₈N₂O₆中，1,3 - 苯并二氧杂环戊烯环系基本呈平面状[最大偏差 = 0.036 (2) Å]，硝基相对于其平均平面的二面角为15.4 (1)°。在晶体中，分子通过C—H⋯O氢键连接成C(8) [101]链，并且还存在弱的芳香π - π堆积[质心 - 质心距离 = 3.887 (1) Å]。
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