Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol

Crystal structure and Hirshfeld surface analysis of 4-allyl-2-methoxy-6-nitrophenol

Blog Article

The asymmetric unit of the title compound, C10H11NO4, which was synthesized via nitration reaction of ZINC eugenol (4-allyl-2-methoxyphenol) with a mixture of nitric acid and sulfuric acid, consists of three independent molecules of similar geometry.Each molecule displays an intramolecular hydrogen bond involving the hydroxide and the nitro group forming an S(6) motif.The crystal cohesion is ensured by intermolecular C—H.O hydrogen bonds in addition to π–π stacking interactions 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 Pinch Bowl C.

C (4%) are the most important contributors towards the crystal packing.