3-(1,3-Di-phenyl-propan-2-yl)-4-methyl-6-phenyl-isoxazolo[3,4-d]pyridazin-7(6H)-one.
In the title compound, C27H23N3O2, the geminal benzyl groups branching out from the methine adjacent to the isoxazole group are both syn-oriented to the methyl group of the pyridazinone moiety, as reflected by C-C distances of 3.812 (2) and 4.369 (2) Å between the methyl carbon and the nearest ring carbon of each benzyl group. This kind of conformation is retained in CDCl3 solution, as evidenced by distinct phenyl-shielding effects on the (1)H NMR signals of the methyl H atoms. The isoxazolo[3,4-d]pyridazin ring system is virtually planar (r.m.s. deviation from planarity = 0.031 Å), but the N-bonded phenyl group is inclined to the former by an ring-ring angle of 55.05 (3)°. In the crystal, the T-shaped mol-ecules are arranged in an inter-locked fashion, forming rod-like assemblies along [10-1]. The mol-ecules are held together by unremarkable weak C-H⋯N, C-H⋯O and C-H⋯π inter-actions (C-O,N,C > 3.4 A), while significant π-π-stacking inter-actions are absent.
Bruker AXS Inc., 5465 East Cheryl Parkway, Madison, WI 53711, USA.
Charles F
CF
Campana
The University of Montana-Missoula, The Department of Biomedical & Pharmaceutical Sciences, Missoula, MT 59812-1552, USA.
Joseph
J
Mirzaei
The University of Montana-Missoula, The Department of Biomedical & Pharmaceutical Sciences, Missoula, MT 59812-1552, USA.
Chris
C
Koerner
The University of Montana-Missoula, The Department of Biomedical & Pharmaceutical Sciences, Missoula, MT 59812-1552, USA.
Christina
C
Gates
The University of Montana-Missoula, The Department of Biomedical & Pharmaceutical Sciences, Missoula, MT 59812-1552, USA.
Nicholas R
NR
Natale