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9-{4-[(E)-2-(4,6-二甲基-1,3,5-三嗪-2-基)乙烯基]苯基}-9H-咔唑

9-{4-[(E)-2-(4,6-Dimethyl-1,3,5-triazin-2-yl)ethen-yl]phen-yl}-9H-carbazole.

作者信息

Liu Chang-Lin, Xue Gang, Cui Yue-Zhi, Li Tian-Duo, Ng Seik Weng

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):o2095. doi: 10.1107/S1600536809030359.

Abstract

In the crystal structure of the title compound, C(25)H(20)N(4), the triazinyl ring is nearly coplanar with the planar (r.m.s. deviation = 0.028 Å) phenyl-ethenyl unit, the twist being only 5.8 (2)°; however, the planar carbazolyl unit (r.m.s. deviation = 0.008 Å) is twisted by 47.8 (1)° with respect to the phenyl-ethenyl unit. The nonplanar nature of the mol-ecule explains the phenomenon of light emission at short wavelengths in the solid state but at long wavelengths in solution.

摘要

在标题化合物C(25)H(20)N(4)的晶体结构中,三嗪基环与平面(均方根偏差 = 0.028 Å)苯基乙烯基单元近乎共面,扭转角仅为5.8 (2)°;然而,平面咔唑基单元(均方根偏差 = 0.008 Å)相对于苯基乙烯基单元扭转了47.8 (1)°。分子的非平面性质解释了固态下短波长发光而溶液中长波长发光的现象。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5052/2970030/ef5f7b0cbb01/e-65-o2095-fig1.jpg

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