TY - JOUR
T1 - 3-(1,3-Diphenylpropan-2-yl)-4-methyl-6-phenylisoxazolo[3,4-d] pyridazin-7(6H)-one
AU - Campana, Charles F.
AU - Mirzaei, Joseph
AU - Koerner, Chris
AU - Gates, Christina
AU - Natale, Nicholas R.
PY - 2013/11
Y1 - 2013/11
N2 - In the title compound, C27H23N3O 2, 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 1H 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 molecules are arranged in an interlocked fashion, forming rod-like assemblies along [10-1]. The molecules are held together by unremarkable weak C - H⋯N, C - H⋯O and C - H⋯π interactions (C - O,N,C > 3.4A), while significant π-π-stacking interactions are absent.
AB - In the title compound, C27H23N3O 2, 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 1H 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 molecules are arranged in an interlocked fashion, forming rod-like assemblies along [10-1]. The molecules are held together by unremarkable weak C - H⋯N, C - H⋯O and C - H⋯π interactions (C - O,N,C > 3.4A), while significant π-π-stacking interactions are absent.
UR - http://www.scopus.com/inward/record.url?scp=84887217312&partnerID=8YFLogxK
U2 - 10.1107/S160053681302802X
DO - 10.1107/S160053681302802X
M3 - Article
AN - SCOPUS:84887217312
SN - 1600-5368
VL - 69
SP - o1680-o1681
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
IS - 11
ER -