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Ethyl 2-(5-bromo-2-iodo-anilino)cyclo-pent-1-ene-1-carboxyl-ate

机译:乙基2-(5-溴-2-碘 - 苯硅氧胺)环戊-1-eNE-1-羧基 - 吃

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In the title compound, C 14 H 15 BrINO 2 , the conformation of the C—O—CH 2 —CH 3 grouping is anti [torsion angle = 173.8?(6)°] and the bond-angle sum at the N atom bridging the two rings is 360°. An unusual intra-molecular bifurcated N—H?(O,I) hydrogen bond helps to establish the mol-ecular conformation, in which the I atom and the C=O grouping are syn . In the crystal, inversion dimers created by pairs of short inter-molecular C—I?O inter-actions [C—I = 2.080?(7)??; I?O = 3.211?(5)??; C—I?O = 152.4?(2)°] occur.
机译:在标题化合物中,C 14 H 15 Brino 2,C-O-CH 2 -CH 3分组的构象是抗[扭转角= 173.8°(6)°]和N原子桥接的键合角和两个环是360°。不寻常的分子内分叉的N-H?(O,I)氢键有助于建立摩尔骨骼构象,其中I原子和C = O分组是SYN。在晶体中,通过互相分别的帧间形成的反转二聚体互动[C-I = 2.080?(7)??;我?o = 3.211?(5)?? C-I?o = 152.4?(2)发生。

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