Abstract
In the title compound, C20H21N5O, the conformation about the imine bond [1.289 (3) Å] is E. Overall, the molecule is disk-shaped with the imidazole ring located above the remainder of the molecule and with the dihedral angles of 10.97 (15) and 12.11 (15)°, respectively, between the imidazole ring and the phenyl and methylbenzene rings; the dihedral angle between the aromatic rings is 8.17 (14)°. Within the urea unit, the N—H atoms are anti to each other and one of the N—H atoms forms an intramolecular N—H⋯N hydrogen bond. Helical supramolecular chains along [001] are formed via N—H⋯N(imidazole) hydrogen bonds in the crystal structure. These are connected into a three-dimensional architecture by C—H⋯O(carbonyl) and C—H⋯π interactions.
Highlights
In the title compound, C20H21N5O, the conformation about the imine bond [1.289 (3) Å] is E
The molecule is disk-shaped with the imidazole ring located above the remainder of the molecule and with the dihedral angles of
H atoms treated by a mixture of independent and constrained refinement max = 0.19 e Å3
Summary
R factor = 0.045; wR factor = 0.097; data-to-parameter ratio = 9.1. C20H21N5O, the conformation about the imine bond [1.289 (3) Å] is E. The molecule is disk-shaped with the imidazole ring located above the remainder of the molecule and with the dihedral angles of. 10.97 (15) and 12.11 (15) , respectively, between the imidazole ring and the phenyl and methylbenzene rings; the dihedral angle between the aromatic rings is 8.17 (14). The N—H atoms are anti to each other and one of the N—. H atoms forms an intramolecular N—H N hydrogen bond. H N(imidazole) hydrogen bonds in the crystal structure.
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More From: Acta Crystallographica Section E Structure Reports Online
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