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

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ID: 103017
2020
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Abstract
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. 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 C...C (4%) are the most important contributors towards the crystal packing.
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ghallab2020crystalacta Use this key to autocite in the manuscript while using SciMatic Manuscript Manager or Thesis Manager
Authors Ghallab, Yassine El;Derfoufi, Sanae;Ketatni, El Mostafa;Saadi, Mohamed;Ammari, Lahcen El;
Journal acta crystallographica section e: crystallographic communications
Year 2020
DOI
DOI not found
URL
http://scripts.iucr.org/cgi-bin/paper?S2056989020002601
Keywords
chemistry Organic Chemistry Biology (General) Medicine Science

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