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Crystal data for 1-4-epoxy-4-[(4-nitrophenyl)methyl]-1-phenyl-1H-2,3-benzodioxepin-5(4H)-one (C22H15NO6) and 1,4-epoxy-4-[(4-bromophenyl)methyl]-1-phenyl-1H-2,3-benzodioxepin-5(4H)-one (C22H15BrO4)

✍ Scribed by Mullica, D. F. ;Belew, J. S. ;Sappenfield, E. L.

Book ID
114499892
Publisher
International Union of Crystallography
Year
1986
Tongue
English
Weight
90 KB
Volume
19
Category
Article
ISSN
0021-8898

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The structure of the title compound, C 25 H 23 N 3 O 2 , features a central pyrazole ring; an amine NH unit interacts with the ring CO unit through an intramolecular N-HÁ Á ÁO hydrogen bond [NÁ Á ÁO = 2.700 (2) A ˚]

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In the title compound, C 24 H 18 F 3 N 3 O, the molecule exists in the enamine-keto tautomeric form. The pyrazolone ring makes dihedral angles of 31.8 (2), 45.4 (2) and 71.2 (2) with the 1-phenyl, aniline and methylene-bound phenyl rings, respectively. An intramolecular N-HÁ Á ÁO hydrogen bond helps