Crystal structure, Hirshfeld surface analysis and HOMO–LUMO analysis of (E)-4-bromo-N′-(4-methoxybenzylidene)benzohydrazide
2018 ◽
Vol 74
(10)
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pp. 1500-1503
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Keyword(s):
The title Schiff base compound, C15H13BrN2O2, displays an E configuration with respect to the C=N double bond, which forms a dihedral angle of 58.06 (9)° with the benzene ring. In the crystal, the molecules are linked into chains parallel to the b axis by N—H...O and C—H...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—H...π interactions. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from C...H (33.2%), H...H (27.7%), Br...H/H...Br (14.2%) and O...H/H...O (13.6%) interactions. The title compound has also been characterized by frontier molecular orbital analysis.
2019 ◽
Vol 75
(6)
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pp. 804-807
2021 ◽
Vol 77
(2)
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pp. 195-199
2021 ◽
Vol 77
(3)
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pp. 260-265
2021 ◽
Vol 77
(8)
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pp. 829-833
2019 ◽
Vol 75
(6)
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pp. 717-720
2019 ◽
Vol 75
(2)
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pp. 228-232
2021 ◽
Vol 77
(8)
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pp. 814-818
2019 ◽
Vol 75
(11)
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pp. 1734-1737
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2018 ◽
Vol 74
(12)
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pp. 1887-1890
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2020 ◽
Vol 76
(8)
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pp. 1195-1200