The asymmetric unit of the title compound, C(10)H(11)NO(4), 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-Hâ¯O hydrogen bonds in addition to Ï-Ï stacking inter-actions between the aromatic rings [centroid-centroid distances = 3.6583â (17)-4.0624â (16)â à ]. The Hirshfeld surface analysis and the two-dimensional fingerprint plots show that Hâ¯H (39.6%), Oâ¯H/Hâ¯O (37.7%), Câ¯H/Hâ¯C (12.5%) and Câ¯C (4%) are the most important contributors towards the crystal packing.
Crystal structure and Hirshfeld surface analysis of 4-allyl-2-meth-oxy-6-nitro-phenol.
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作者:El Ghallab Yassine, Derfoufi Sanae, Ketatni El Mostafa, Saadi Mohamed, El Ammari Lahcen
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2020 | 起止号: | 2020 Feb 28; 76(Pt 3):461-465 |
| doi: | 10.1107/S2056989020002601 | ||
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