The title Schiff base compound, C(15)H(13)BrN(2)O(2), displays an E configuration with respect to the C=N double bond, which forms a dihedral angle of 58.06â (9)° with the benzene ring. In the crystal, the mol-ecules are linked into chains parallel to the b axis by N-Hâ¯O and C-Hâ¯O hydrogen bonds, giving rise to rings with an R (2) (1)(6) graph-set motif. The chains are further linked into a three-dimensional network by C-Hâ¯Ï inter-actions. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from Câ¯H (33.2%), Hâ¯H (27.7%), Brâ¯H/Hâ¯Br (14.2%) and Oâ¯H/Hâ¯O (13.6%) inter-actions. The title compound has also been characterized by frontier mol-ecular orbital analysis.
Crystal structure, Hirshfeld surface analysis and HOMO-LUMO analysis of (E)-4-bromo-N'-(4-meth-oxy-benzyl-idene)benzohydrazide.
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作者:Balasubramani Kasthuri, Premkumar Ganesan, Sivajeyanthi Palaniyappan, Jeevaraj Muthaiah, Edison Bellarmin, Swu Toka
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2018 | 起止号: | 2018 Sep 28; 74(Pt 10):1500-1503 |
| doi: | 10.1107/S2056989018013373 | ||
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