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Synthesis and crystal structure of N,N′-bis(4-chlorophenyl)thiourea N,N-dimethylformamide
Open Chemistry ( IF 2.3 ) Pub Date : 2021-01-01 , DOI: 10.1515/chem-2020-0061
Ayodele T. Odularu 1 , Peter A. Ajibade 2 , Opeoluwa O. Oyedeji 1 , Johannes Z. Mbese 1 , Horst Puschmann 3
Affiliation  

This study is about the synthesis of N,N′ -bis(4-chlorophenyl)thiourea N,N -dimethylformamide (C 16 H 17 Cl 2 N 3 OS) compound. Single crystals of the compound were obtained by slow evaporation of N,N′ -bis(4-chlorophenyl)thiourea (C 13 H 10 Cl 2 N 2 S) in N,N -dimethylformamide (C 3 H 7 NO; DMF) through recrystallization under mild condition. Important classical N–H⋯O links the two molecules together. Results revealed that C 16 H 17 Cl 2 N 3 OS crystallized in the monoclinic space group P 2 1 / c with the respective cell parameters of a = 92,360 (4) Å, b = 7.2232 (3) Å, 25.2555 (11) Å, β = 91.376 (3), α = γ = 90°, V = 1684.40 (12) Å 3 , T = 119.94 (13) K and Z = 4 and Z′ = 1.

中文翻译:

N,N'-双(4-氯苯基)硫脲N,N-二甲基甲酰胺的合成及晶体结构

该研究是关于N,N′-双(4-氯苯基)硫脲N,N-二甲基甲酰胺(C 16 H 17 Cl 2 N 3 OS)化合物的合成。通过缓慢蒸发N,N'-双(4-氯苯基)硫脲(C 13 H 10 Cl 2 N 2 S)在N,N-二甲基甲酰胺(C 3 H 7 NO; DMF)中的溶液来获得化合物的单晶。在温和条件下重结晶。重要的经典N–H⋯O将两个分子连接在一起。结果表明,C 16 H 17 Cl 2 N 3 OS在单斜空间群P 2 1 / c中结晶,其相应的晶胞参数为a = 92,360(4)Å,b = 7.2232(3)Å,25.2555(11)Å ,β= 91.376(3),α=γ= 90°,V = 1684.40(12)Å3,T = 119.94(13)K和Z = 4且Z'= 1。
更新日期:2021-01-01
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