Crystal structure, Hirshfeld surface analysis and DFT studies of 2-[4-(2-methyl-prop-yl)phen-yl]-N'-[(1Z)-1-(thio-phen-2-yl)ethyl-idene]propane-hydrazide

2-[4-(2-甲基-丙基-基)苯基-基]-N'-[(1Z)-1-(噻吩-2-基)亚乙基]丙烷酰肼的晶体结构、Hirshfeld表面分析和DFT研究

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Abstract

In the title compound C(19)H(24)N(2)OS, inter-molecular N-H⋯O hydrogen bonds generate R (2) (2)(8) ring motifs, forming dimers with an inter-action energy of -70.5 kJ mol(-1). A short S⋯C inter-action produces another dimer with an inter-action energy of -30.6 kJ mol(-1). The inter-molecular inter-actions were qu-anti-fied using Hirshfeld surface analysis. The two-dimensional fingerprint plots indicate that the major contributions to the crystal packing are from H⋯H (67.9%), C⋯H (13.7%), O⋯H (7.3%) and S⋯H (4.3%) inter-actions.

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