N-(Diphenyl-carbamothio-yl)-3-methyl-benzamide.
N-(Diphenyl-carbamothio-yl)-3-methyl-benzamide.
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N-(二苯基-硫代氨基甲酰基)-3-甲基-苯甲酰胺。
DOI：
10.1107/s1600536809002554
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发表时间：
2009
期刊：
影响因子：
--
通讯作者：
Arslan,Hakan
中科院分区：
文献类型：
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作者：
Binzet,Gün;Flörke,Ulrich;Külcü,Nevzat;Arslan,Hakan
标题化合物C21 H18 N2 OS的合成包括3-甲基苯甲酰氯与硫氰酸钾在无水丙酮中反应，然后3-甲基苯甲酰基异硫氰酸酯与二苯胺缩合。羰基[C-O = 1.215（2）<$]和硫代羰基[C-S = 1.6721（17）<$]距离表明它们对应于双键。 分子中心的短C-N键揭示了分子这一部分的共振效应。相对于硫代羰基和羰基，分子的构象是扭曲的。3-甲基苯基和两个苯环也是扭曲的，二面角为75.67（9）和14.91（9）°。 苯环从N-C-S-N原子的平均平面旋转66.87（8）和78.40（9）°。 分子对通过分子间的N-H S相互作用连接成中心对称的二聚体，并且也发生C-H O连接。二聚体沿a轴沿着堆叠。
The synthesis of the title compound, C21H18N2OS, involves the reaction of 3-methylbenzoyl chloride with potassium thiocyanate in dry acetone followed by condensation of the 3-methylbenzoyl isothiocyanate with diphenylamine. The carbonyl [C—O = 1.215 (2) Å] and thiocarbonyl [C—S = 1.6721 (17) Å] distances indicate that these correspond to double bonds. The short C—N bonds at the center of the molecule reveal the effects of resonance in this part of the molecule. The conformation of the molecule with respect to the thiocarbonyl and carbonyl groups is twisted. The 3-methylphenyl and two phenyl rings are also twisted, with dihedral angles of 75.67 (9) and 14.91 (9)°. The phenyl rings are rotated out of the mean plane of the N—C—S—N atoms by 66.87 (8) and 78.40 (9)°. Pairs of molecules are linked into centrosymmetric dimers via intermolecular N—H⋯S interactions and a C—H⋯O link also occurs. The dimers are stacked along the a axis.