4-Bromo-N N -di-phenyl-benzimidamide N氧化物。

IUCrData Pub Date : 2024-10-01 Epub Date: 2024-10-08 DOI:10.1107/S2414314624009684

Arindam Saha , Daniel Chartrand , Mihaela Cibian , Thierry Maris , Garry S. Hanan

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摘要

标题化合物C19H15BrN2O在不对称单元中与两个相似的分子结晶。扩展结构的特征是由一对对N-H⋯O和C-H⋯O氢键连接的二聚体。标题化合物的HNCNO部分在N-C-N部分表现出离域，这可以通过相似的C-N键距离来证明。

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4-Bromo-N,N′-diphenylbenzimidamide N′-oxide

Bright-yellow single crystals of the title compound were synthesized as part of a project that explores the formation of earth-abundant transition-metal complexes of amidine oxides (AMOXs), to study their photophysical and redox properties. The HNCNO moiety of the compound shows double-bond delocalization over the N—C—N part, evident from the similar C—N bond distances.

The title compound, C₁₉H₁₅BrN₂O, crystallizes with two similar molecules in the asymmetric unit. The extended structure features dimers linked by pairs of N—H⋯O and C—H⋯O hydrogen bonds. The HNCNO moiety of the title compound shows delocalization over the N—C—N part, as evidenced by the similar C—N bond distances.

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