Abstract2-[2-benzothiazoylmethyl)thio]-benzenamine, which was first reported in 1898, was isolated from the reaction of bromoacetyl bromide and 2-aminothiophenol [1]. The product crystallized from an aqueous methanol solution of the reaction mixture to which nickel(II) acetate had been added. 2-[(2-benzothiazolylmethyl)thio]-benzenamine crystallized in the monoclinic system, in space group C2/c, with cell dimensions of a = 27.392 (19) Å, b = 4.730 (3) Å, and c = 23.686 (16) Å, β = 122.465 (6)°, V = 2589(3) Å3, Z = 8 and refined to R = 0.0343 and Rw = 0.0844. Crystallization from methanol yielded the product as the hydrobromide salt in the monoclinic space group Cc, with cell dimensions of a = 10.488 (3) Å, b = 33.404 (9) Å, c = 5.2578 (14) Å, β = 116.769(2)°, V = 1644.7(8) Å3, Z = 4 and refined to R = 0.0296 and Rw = 0.0600. Mass spectral and NMR analyses confirmed that the bulk and crystalline compound were all 2-[(2-benzothiazolylmethyl)thio]-benzenamine.Graphical AbstractThe structural, NMR, and mass spectral analyses of 2-[(2-benzothiazolylmethyl)thio]-benzenamine and 2-[(2-benzothiazolylmethyl)thio]-benzenamine hydrobromide salt are presented.

中文翻译：

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2-[(2-苯并噻唑基甲基)硫基]-苯胺和2-[(2-苯并噻唑基甲基)硫基]-苯胺氢溴酸盐的结构和光谱分析

摘要 2-[2-苯并噻唑基甲基)硫代]-苯胺于1898年首次报道，由溴乙酰溴与2-氨基苯硫酚反应分离得到[1]。产物从已添加乙酸镍(II)的反应混合物的甲醇水溶液中结晶。2-[(2-苯并噻唑基甲基)硫基]-苯胺在单斜晶系中结晶，空间群 C2/c，晶胞尺寸为 a = 27.392 (19) Å，b = 4.730 (3) Å，c = 23.686 ( 16) Å, β = 122.465 (6)°, V = 2589(3) Å3, Z = 8 并精炼至 R = 0.0343 和 Rw = 0.0844。从甲醇中结晶得到单斜空间群 Cc 中的氢溴酸盐形式的产物，晶胞尺寸为 a = 10.488 (3) Å, b = 33.404 (9) Å, c = 5.2578 (14) Å, β = 116.769(2) )°, V = 1644.7(8) Å3, Z = 4 并精炼至 R = 0.0296 和 Rw = 0.0600。质谱和核磁共振分析证实，本体和晶体化合物都是 2-[(2-苯并噻唑基甲基)硫代]-苯胺。图解摘要2-[(2-苯并噻唑基甲基)硫基]-苯胺的结构、核磁共振和质谱分析提出了2-[(2-苯并噻唑基甲基)硫代]-苯胺氢溴酸盐。