N-（4-甲基苯基）-3-硝基吡啶-2-胺
N-(4-Methyl-phen-yl)-3-nitro-pyridin-2-amine.
作者信息
Aznan Akhmad Mardia Aina, Abdullah Zanariah, Fairuz Zainal A, Ng Seik Weng, Tiekink Edward R T
机构信息
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 25;66(Pt 9):o2400. doi: 10.1107/S1600536810033040.
Two independent mol-ecules comprise the asymmetric unit of the title compound, C(12)H(11)N(3)O(2). These differ in terms of the relative orientations of the benzene rings as seen in the respective dihedral angles formed between the pyridine and benzene rings [17.42 (16) and 34.64 (16)°]. Both mol-ecules are twisted about the amine-tolyl N-C bonds [respective torsion angles = 22.3 (5) and 35.9 (5)°] but only about the amine-pyridine N-C bond in the first independent mol-ecule [respective torsion angles = -11.7 (5) and 0.8 (5)°]. Intra-molecular N-H⋯O hydrogen bonds preclude the amine H atoms from forming significant inter-molecular inter-actions. The crystal packing features inter-molecular C-H⋯O and C-H⋯π and π-π [centroid-centroid distance: pyridine-benzene = 3.6442 (19) Å and pyridine-pyridine = 3.722 (2) Å] contacts.
标题化合物C(12)H(11)N(3)O(2)的不对称单元由两个独立分子组成。从吡啶环与苯环之间形成的各自二面角[17.42 (16)和34.64 (16)°]来看，这两个分子在苯环的相对取向上有所不同。两个分子均围绕胺基 - 甲苯基的N - C键扭曲[各自的扭转角 = 22.3 (5)和35.9 (5)°]，但仅第一个独立分子围绕胺基 - 吡啶的N - C键扭曲[各自的扭转角 = -11.7 (5)和0.8 (5)°]。分子内的N - H⋯O氢键使胺基H原子无法形成显著的分子间相互作用。晶体堆积具有分子间C - H⋯O、C - H⋯π和π - π[质心 - 质心距离：吡啶 - 苯 = 3.6442 (19) Å和吡啶 - 吡啶 = 3.722 (2) Å]接触。
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