9-[4-(叠氮甲基)苯基]-9H-咔唑-3-甲腈
9-[4-(Azido-meth-yl)phen-yl]-9H-carbazole-3-carbo-nitrile.
作者信息
Ramathilagam C, Umarani P R, Venkatesan N, Rajakumar P, Gunasekaran B, Manivannan V
机构信息
Department of Physics, AMET University, Kanathur, Chennai 603 112, India.
Principal, Kundavai Nachiyar Govt College for Women, Thanjavur 613 007, India.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 25;70(Pt 2):o197. doi: 10.1107/S1600536814001391. eCollection 2014 Feb 1.
In the title compound C20H13N5, the dihedral angle between the carbazole ring system (r.m.s. deviation = 0.027 Å) and the pendant benzene ring is 55.08 (6)°. One of the azide N atoms is disordered over two positions in a 0.65 (2):0.35 (2) ratio. In the crystal, aromatic π-π stacking is observed [minimum centroid-centroid separation = 3.6499 (13) Å] as well as inversion-dimers connected by pairs of weak C-H⋯π inter-actions.
在标题化合物C₂₀H₁₃N₅中，咔唑环系统（均方根偏差 = 0.027 Å）与悬垂苯环之间的二面角为55.08 (6)°。其中一个叠氮氮原子在两个位置上无序，比例为0.65 (2):0.35 (2)。在晶体中，观察到芳香π-π堆积[最小质心-质心间距 = 3.6499 (13) Å]以及通过弱C-H⋯π相互作用对连接的反演二聚体。
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