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5-Benzoyl-2-(5-bromo-1H-indol-3-yl)-4-(4-meth--oxy-phen-yl)-1H-pyrrole-3-carbo-nitrile

机译:5-苄基-2-(5-溴-1H-吲哚-3-基)-4-(4-甲基-氧-苯基-基)-1H-吡咯-3-碳腈

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摘要

In the title compound, C27H18BrN3O, the indole and central pyrrole ring systems are inclined to one another by 13.15?(15)°. The carbo-nitrile group is almost coplanar with its attached pyrrole ring, the C≡N bond making a dihedral angle of 1.9?(2)° with the ring plane. The 4-meth-oxy-benzene ring and the benzoyl ring are inclined to the central pyrrole ring by 55.1?(2) and 51.5?(2)°, respectively. The dihedral angle between these two benzene rings is 37.68?(17)°. In the crystal, mol-ecules are linked by pairs of N—H?N hydrogen bonds, forming inversion dimers with an?R22(16) ring motif. The dimers are linked by offset?π–π?inter-actions [inter-centroid distance = 3.614?(2)??], which leads to the formation of chains propagating in the [010] direction.
机译:在标题化合物C27H18BrN3O中,吲哚和中心吡咯环体系彼此倾斜13.15°(15)°。碳腈基与其连接的吡咯环几乎共面,C≡N键与环平面的二面角为1.9?(2)°。 4-甲基-氧-苯环和苯甲酰基环分别相对于中心吡咯环倾斜55.1°(2)和51.5°(2)°。这两个苯环之间的二面角为37.68°(17)°。在晶体中,mol-ecules通过成对的N-H→N氢键相连,形成具有R22(16)环基序的倒置二聚体。二聚体通过偏移π-ππ相互作用[质心间距离=3.614π(2)π]连接,这导致形成沿[010]方向传播的链。

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