Crystal structure and Hirshfeld surface analysis of methyl 4-[(E)-2-(5-bromo-2-methoxybenzylidene)hydrazinyl]-3-nitrobenzoate
| Autor: | Tanvirbanu J. Malek, Sahaj A. Gandhi, Vijay Barot, Mukesh Patel, Urmila H. Patel |
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| Jazyk: | angličtina |
| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 74, Iss 9, Pp 1239-1243 (2018) |
| Druh dokumentu: | article |
| ISSN: | 2056-9890 20569890 |
| DOI: | 10.1107/S2056989018011325 |
| Popis: | The title compound, C16H14BrN3O5, is a novel halogen (Br) substituted hydrazine derivative. The hydrazine derivatives were the group of compounds with the general structure, R1R2C=NNH2 (Uppal et al., 2011), with the central RC=NNH2 moiety bridging two different groups on both sides. An all-trans configuration of the backbone (RC=NNH2) results in an extended molecular conformation. The dihedral angle between the 5-bromo-2-methoxyphenyl ring and the nitrophenyl ring is 4.4 (3)°. Intramolecular N—H...O interactions form S(6) graph-set motifs, while C—H...O and C—H...N interactions form S(5) graph-set motifs. Symmetry-related molecules are linked by C—H...O intermolecular interactions forming an R21(10) graph-set motif. There are nearly face-to-face directional specific π–π stacking interactions between the centroids of the nitrophenyl ring and the benzene ring of the 5-bromo-2-methoxy group [centroid–centroid distance = 3.6121 (5) Å and slippage = 1.115 Å], which also contributes to the molecular packing. The Hirshfeld surface analysis was performed in order to visualize, explore and quantify the intermolecular interactions in the crystal lattice of the title compound. |
| Databáze: | Directory of Open Access Journals |
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