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首页> 外文期刊>Zeitschrift fur Naturforschung. A, A journal of physical sciences >The Bond N-Cl. (Ⅲ): A ~(35)Cl NQR and X-Ray Diffraction Study of N-Chloro-N-(2, 6-Dichlorophenyl)-Acetamides
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The Bond N-Cl. (Ⅲ): A ~(35)Cl NQR and X-Ray Diffraction Study of N-Chloro-N-(2, 6-Dichlorophenyl)-Acetamides

机译：键N-Cl。 （Ⅲ）：N-氯-N-（2,6-二氯苯基）-乙酰胺的〜（35）Cl NQR和X射线衍射研究

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摘要

The crystal structures at room temperature of the N-chloro-N-(2, 6-dichlorophenyl)-chloroac-etamides 2, 6-Cl_2C_6H_3 NClCOCCl_3 (1) and 2, 6-Cl_2C_6H_3NClCOCH_2Cl (2) have been determined. (1): orthorhombic, Pbca, Z = 8, a = 2051.7 (8) pm, b = 1134.8 (4) pm, c = 1089.0 (4) pm. (2): or-thorhombic, Pbca, Z = 8, a = 2078.7 (4) pm, b = 1487.9 (4) pm, c = 694.0 (2) pm. The ~(35)Cl NQR spectrum of (1) was studied in the range 77 ≤ T/K ≤ 370. At 77 K, a sextet spectrum is observed (ν in MHz): ν_1 = ν (Cl~((N))) = 56.327; ν_2 = 40.636, ν_3 = 40.317, ν_4 = 40.294; ν_5 = 36.532, ν_6 = 36.182. The lines ν_2, ν_3, and ν_4 are assigned to the CCl_3 group because of their position in the frequency scale. Also, due to librational motions, this triplet part of the spectrum fades out at T_f ≈ 320 K. There is no problem in assigning in both compounds, on the basis of the known ~(35)Cl NQR frequency scale, the line ν_1 to the Cl atom attached to the nitrogen atom and the lines ν_5 and ν_6 to the ring chlorines (Cl~((2)) and Cl~((6))). The crystal structures and NQR spectra of (1) and (2) are discussed together with literature data for 2, 6-Cl_2C_6H_3NHCOR, C_6H_5NClCOR (where R = CCl_3, CClH_2) and other substituted acetamides.
机译：已经确定了室温下的N-氯-N-（2,6-二氯苯基）-氯乙酰胺2、6-Cl_2C_6H_3 NClCOCCl_3（1）和2,6-Cl_2C_6H_3NClCOCH_2Cl（2）的晶体结构。 （1）：斜方晶，Pbca，Z = 8，a = 2051.7（8）pm，b = 1134.8（4）pm，c = 1089.0（4）pm。 （2）：斜方晶系，Pbca，Z = 8，a = 2078.7（4）pm，b = 1487.9（4）pm，c = 694.0（2）pm。研究了（1）的〜（35）Cl NQR光谱，范围为77≤T / K≤370.在77 K处，观察到六重峰光谱（ν以MHz为单位）：ν_1=ν（Cl〜（（N） ））= 56.327; ν_2= 40.636，ν_3= 40.317，ν_4= 40.294； ν_5= 36.532，ν_6= 36.182。由于线ν_2，线ν_3和线ν_4在频率标度中的位置，它们被分配给CCl_3组。同样，由于自由运动，光谱的这个三重态部分在T_f≈320 K处消失。根据已知的〜（35）Cl NQR频率标度，在这两种化合物中分配线v_1至Cl原子与氮原子相连，线ν_5和ν_6与环氯（Cl〜（（2））和Cl〜（（6）））相连。讨论了（1）和（2）的晶体结构和NQR光谱以及2、6-Cl_2C_6H_3NHCOR，C_6H_5NClCOR（其中R = CCl_3，CClH_2）和其他取代的乙酰胺的文献数据。

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