Abstract
The asymmetric unit of the title compound, C10H11NO4, which was synthesized via nitration reaction of eugenol (4-allyl-2-meth-oxy-phenol) with a mixture of nitric acid and sulfuric acid, consists of three independent mol-ecules of similar geometry. Each mol-ecule displays an intra-molecular hydrogen bond involving the hydroxide and the nitro group forming an S(6) motif. The crystal cohesion is ensured by inter-molecular C-H⋯O hydrogen bonds in addition to π-π stacking inter-actions between the aromatic rings [centroid-centroid distances = 3.6583 (17)-4.0624 (16) Å]. The Hirshfeld surface analysis and the two-dimensional fingerprint plots show that H⋯H (39.6%), O⋯H/H⋯O (37.7%), C⋯H/H⋯C (12.5%) and C⋯C (4%) are the most important contributors towards the crystal packing.
Highlights
The asymmetric unit of the title compound, C10H11NO4, which was synthesized via nitration reaction of eugenol (4-allyl-2-methoxyphenol) with a mixture of nitric acid and sulfuric acid, consists of three independent molecules of similar geometry
The crystal cohesion is ensured by intermolecular C—HÁ Á ÁO hydrogen bonds in addition to – stacking interactions between the aromatic rings [centroid–centroid distances = 3.6583 (17)–4.0624 (16) A ]
The Hirshfeld surface analysis and the twodimensional fingerprint plots show that HÁ Á ÁH (39.6%), OÁ Á ÁH/HÁ Á ÁO (37.7%), CÁ Á ÁH/HÁ Á ÁC (12.5%) and CÁ Á ÁC (4%) are the most important contributors towards the crystal packing
Summary
The main constituent of clove essential oil, has many interesting biological properties and participates in the synthesis of bioactive compounds (Kaufman, 2015). We report here the synthesis, structure, spectrometric and spectroscopic characterization of the title compound along with an analysis of the calculated Hirshfeld surface and the two-dimensional fingerprint plots
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