Crystal structure and Hirshfeld surface analysis of 5-hy-droxy-penta-nehydrazide.

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作者:Justen Guilherme Augusto, Carneiro Neto José Severiano, Sousa Santana Francielli, Leiriane Batistel Ribas Maria, Gomes da Silva de Paula Felipe, Dario Priscila Paola, Gonçalves Montes D'Oca Marcelo
Carb-oxy-hydrazides are widely used in medicinal chemistry because of their medicinal properties and many drugs have been developed containing this functional group. A suitable inter-mediate to obtain potential hydrazide drug candidates is the title compound 5-hy-droxy-penta-nehydrazide, C(5)H(12)N(2)O(2) (1). The aliphatic compound can react both via the hydroxyl and hydrazide moieties forming derivatives, which can inhibit Mycobacterium tuberculosis catalase-peroxidase (KatG) and consequently causes death of the pathogen. In this work, the hydrazide was obtained via a reaction of a lactone with hydrazine hydrate. The colourless prismatic single crystals belong to the ortho-rhom-bic space group Pca2(1). Regarding supra-molecular inter-actions, the compound shows classic medium to strong inter-molecular hydrogen bonds involving the hydroxyl and hydrazide groups. Besides, the three-dimensional packing also shows weak H⋯H and C⋯H contacts, as investigated by Hirshfeld surface analysis (HS) and fingerprint plots (FP).

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