Crystal structure and DFT study of (E)-4-[({4-[(pyridin-2-ylmethylidene)amino]phenyl}amino)methyl]phenol
2018 ◽
Vol 74
(3)
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pp. 410-413
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In the title Schiff base compound, C19H17N3O, the configuration about the C=N bond isE. The molecule is non-planar, with the phenolic and pyridine rings being inclined to the central benzene ring by 56.59 (4) and 15.13 (14)°, respectively. In the crystal, molecules are linked by pairs of O—H...N hydrogen bonds, forming inversion dimers. The dimers are connected to neighbouring dimers by N—H...O hydrogen bonds and C—H...π interactions, forming layers parallel to thebcplane. The layers are linked by offset π–π interactions [intercentroid distance = 3.779 (2) Å], forming a three-dimensional supramolecular structure. Quantum chemical calculations of the molecule are in good agreement with the solid-state structure.
2018 ◽
Vol 74
(2)
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pp. 172-175
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2015 ◽
Vol 71
(2)
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pp. 192-194
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2015 ◽
Vol 71
(2)
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pp. o81-o82
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2014 ◽
Vol 70
(11)
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pp. 322-324
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2015 ◽
Vol 71
(8)
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pp. o604-o605
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2006 ◽
Vol 62
(4)
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pp. o1433-o1434
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2014 ◽
Vol 70
(2)
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pp. m53-m53
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2017 ◽
Vol 73
(4)
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pp. 553-555
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2016 ◽
Vol 72
(5)
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pp. 683-686
2020 ◽
Vol 76
(2)
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pp. 235-238
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