Crystal structure of 4,4-di-bromo-1-(3,4-di-meth-oxy-phen-yl)-2-aza-buta-1,3-diene-1-carbo-nitrile

Chaabene M.; Khatyr A.; Knorr M.; Askri M.; Rousselin Y.; Kubicki M.M.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of 4,4-di-bromo-1-(3,4-di-meth-oxy-phen-yl)-2-aza-buta-1,3-diene-1-carbo-nitrile

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Crystal structure of 4,4-di-bromo-1-(3,4-di-meth-oxy-phen-yl)-2-aza-buta-1,3-diene-1-carbo-nitrile

机译：Crystal structure of 4,4-第-bromo-1-(3,4-第-met和-哦需要-平很-原来)-2-腌臜-不他-1,3-爹呢-1-carbo-你听日了

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The title compound, C12H10Br2N2O2, represents an example of a planar π-con-jugated 2-aza-butadiene mol-ecule, which is both an inter-esting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric mol-ecular parameters are typical for the family of 2-aza-buta-1,3-dienes not substituted at the (CH) 3-position. In the crystal, the almost planar (r.m.s. deviation = 0.0658??) aza-diene mol-ecules form one-dimensional double-wide ribbons through inter-molecular halogen bonds (C—Br?O and C—Br?Br—C), which then stack in a slipped manner through weak C—H?Br and π–π inter-actions to generate a three-dimensional network.

机译：标题化合物C12H10Br2N2O2表示平面π-共轭的2-氮杂-丁二烯mol-ecule的实例，该化合物既是用于进一步有机转化的有趣原料，又是有机金属配位化学中的潜在配体。它的度量分子参数是在（CH）3位置未取代的2-氮杂-丁基-1,3-二烯家族的典型参数。在晶体中，几乎是平面的（均方根偏差= 0.0658 ？？）氮杂二烯分子通过分子间的卤素键（C-Br？O和C-Br？Br-C）形成一维双宽带。然后，它们通过弱的CHBr和π-π相互作用以滑动方式堆叠，从而生成三维网络。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第8期|共4页
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Chaabene M.; Khatyr A.; Knorr M.; Askri M.; Rousselin Y.; Kubicki M.M.;
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Crystal structure of 4,4-di-bromo-1-(3,4-di-meth-oxy-phen-yl)-2-aza-buta-1,3-diene-1-carbo-nitrile

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