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2-[(4-甲氧基-2-硝基苯基)亚氨基甲基]苯酚

2-[(4-Meth-oxy-2-nitro-phen-yl)imino-meth-yl]phenol.

作者信息

Khalaji Aliakbar Dehno, Nikookar Mahsa, Fejfarová Karla, Dušek Michal

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):o2445-6. doi: 10.1107/S1600536812031212. Epub 2012 Jul 14.

DOI:10.1107/S1600536812031212
PMID:22904892
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414359/
Abstract

The crystal structure of the title compound, C(14)H(12)N(2)O(4), contains four crystallographically independent mol-ecules in the asymmetric unit. All the mol-ecules have similar conformations; the dihedral angles between the aromatic rings are 33.1 (1), 33.76 (9), 31.41 (9) and 32.56 (10)°. Intra-molecular O-H⋯N hydrogen bonds form S(6) ring motifs in each molecule. In the crystal, there are two pairs of pseudo-inversion-related mol-ecules. Along the c axis, mol-ecules are stacked with π-π inter-actions between the 2-hy-droxy-phenyl and 4-meth-oxy-2-nitro-phenyl rings [centroid-centroid distances = 3.5441 (12)-3.7698 (12) Å].

摘要

标题化合物C(14)H(12)N(2)O(4)的晶体结构在不对称单元中包含四个晶体学独立分子。所有分子具有相似的构象;芳环之间的二面角分别为33.1 (1)、33.76 (9)、31.41 (9)和32.56 (10)°。分子内O—H⋯N氢键在每个分子中形成S(6)环基序。在晶体中,有两对假倒转相关分子。沿着c轴,分子通过2-羟基苯基和4-甲氧基-2-硝基苯基环之间的π-π相互作用堆积在一起[质心-质心距离 = 3.5441 (12)-3.7698 (12) Å]。

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