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首页> 外文期刊>Journal of Chemical Crystallography >Synthesis, Characterization and Crystal Structures of 2-Cyano-N′-(2-chlorobenzylidene)acetohydrazide and 2-Cyano-N′-(4-dimethylaminobenzylidene)acetohydrazide
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Synthesis, Characterization and Crystal Structures of 2-Cyano-N′-(2-chlorobenzylidene)acetohydrazide and 2-Cyano-N′-(4-dimethylaminobenzylidene)acetohydrazide

机译：2-氰基-N'-（2-氯苄叉基）乙酰肼和2-氰基-N'-（4-二甲基氨基苄叉基）乙酰肼的合成，表征和晶体结构

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摘要

Two new benzohydrazone derivatives, 2-cyano-N′-(2-chlorobenzylidene)acetohydrazide (1) and 2-cyano-N′-(4-dimethylaminobenzylidene)acetohydrazide (2), were prepared and characterized by elemental analysis, 1H and 13C NMR, and single crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 9.925(1) Å, b = 7.045(1) Å, c = 15.117(2) Å, β = 91.479(2)°, V = 1056.7(2) Å3, Z = 4, R 1 = 0.0447, and wR 2 = 0.0930. Compound 2 crystallizes in the monoclinic space group P21/c with unit cell dimensions a = 13.714(2) Å, b = 8.938(1) Å, c = 10.883(1) Å, β = 112.628(2)°, V = 1231.3(3) Å3, Z = 4, R 1 = 0.0578, and wR 2 = 0.1122. X-ray diffraction indicated that the molecules of the compounds display trans configurations with respect to the C=N double bonds. The crystal structures of the compounds are stabilized by N–H···O hydrogen bonds and weak π···π interactions.
机译：制备了两种新的苯并zone衍生物2-氰基-N'-（2-氯苄叉基）乙酰肼（1）和2-氰基-N'-（4-二甲基氨基苄叉基）乙酰肼（2），并通过元素分析对其进行了表征，1 H和13 NMR，以及单晶X射线衍射。化合物1在单斜晶空间群P21 / c中结晶，晶胞尺寸为a = 9.925（1）Å，b = 7.045（1）Å，c = 15.117（2）Å，β= 91.479（2）° ，V = 1056.7（2）Å3，Z = 4，R 1 = 0.0447，wR 2 = 0.0930。化合物2在单斜晶空间群P21 / c中结晶，晶胞尺寸为a = 13.714（2）Å，b = 8.938（1）Å，c = 10.883（1）Å，β= 112.628（2）° ，V = 1231.3（3）Å3，Z = 4，R 1 = 0.0578，wR 2 = 0.1122。 X射线衍射表明，化合物的分子相对于C ＝ N双键显示反式构型。化合物的晶体结构通过N–H··O氢键和弱的π···π相互作用来稳定。

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