4-Fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate

IUCrData Pub Date : 2024-03-01 DOI:10.1107/S2414314624002359

Mohd Abdul Fatah Abdul Manan , David B. Cordes , Aidan P. McKay , W. T. A. Harrison (Editor)

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Abstract

The crystal structure of a new fluorinated dithiocarbazate imine containing the isatin moiety, 4-fluorobenzyl (Z)-2-(2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate, is described.

The title compound, C₁₆H₁₂FN₃OS, a fluorinated dithiocarbazate imine derivative, was synthesized by the one-pot, multi-component condensation reaction of hydrazine hydrate, carbon disulfide, 4-fluorobenzyl chloride and isatin. The compound demonstrates near-planarity across much of the molecule in the solid state and a Z configuration for the azomethine C=N bond. The Z form is further stabilized by the presence of an intramolecular N—H⋯O hydrogen bond. In the extended structure, molecules are linked into dimers by N—H⋯O hydrogen bonds and further connected into chains along either [2

0] or [100] by weak C—H⋯S and C—H⋯F hydrogen bonds, which further link into corrugated sheets and in combination form the overall three-dimensional network.

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4-氟苄基 (Z)-2-(2-氧代吲哚啉-3-亚基)肼-1-二硫代碳酸酯

标题化合物 C16H12FN3OS 是一种含氟二硫代氨基甲酸亚胺衍生物，是通过水合肼、二硫化碳、对氟苄氯和异atin 的单锅多组分缩合反应合成的。该化合物在固态下大部分分子接近平面，偶氮甲基 C=N 键呈 Z 型构型。分子内 N-H...O 氢键的存在进一步稳定了 Z 型结构。在扩展结构中，分子通过 N-H...O 氢键连接成二聚体，并通过微弱的 C-H...S 和 C-H...F 氢键沿着 [2\overline{1}0] 或 [100] 进一步连接成链，这些链进一步连接成波纹状薄片，并结合在一起形成整个三维网络。

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