Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C₉H₁₁BrN₂S

Abstract

C 9 H11BrN 2 S, orthorhombic, P212121 (no. 19), a = 7.5187(3) Å, b = 8.0634(3) Å, c = 17.5320(6) Å, V = 1062.90(7) Å 3 , Z = 4, CCDC no.: 1505381The asymmetric unit of the title crystal structure is shown in the gure. Tables 1 and 2 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters. Source of material3-(2-Bromophenyl)-1,1-dimethylthiourea was synthesized from the dropwise addition of a solution of dimethylamine (1.1 equivalents) in ethanol to a stirred solution of 2-bromophenyl isothiocyanate in anhydrous dioxane over 5 min. The

1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea

“…Thioureas show various biological activities (Yao et al, 2012;Kocyigit-Kaymakcioglu et al, 2013;Korkmaz et al, 2015;Yang et al, 2015;Tahir et al, 2015;Shakeel et al, 2016) and therefore their syntheses are always of interest (Kong et al, 2015;Nguyen et al, 2014;Maki et al, 2014;Chau et al 2014;Maddani & Prabhu, 2010). The X-ray crystal structures of some 1-(2-bromophenyl)-3,3-dimethylthiourea derivatives have been published recently (El-Hiti et al, 2014, 2017: as part of our ongoing studies in this area, we now describe the synthesis and structure of the title compound.…”