3-(1,3-Diphenylpropan-2-yl)-4-methyl-6-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one
| Autor: | Charles F. Campana, Joseph Mirzaei, Chris Koerner, Christina Gates, Nicholas R. Natale |
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| Jazyk: | angličtina |
| Rok vydání: | 2013 |
| Předmět: | |
| Zdroj: | Acta Crystallographica Section E, Vol 69, Iss 11, Pp o1680-o1681 (2013) |
| Druh dokumentu: | article |
| ISSN: | 16005368 1600-5368 |
| DOI: | 10.1107/S160053681302802X |
| Popis: | 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 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 > 3.4 A), while significant π–π-stacking interactions are absent. |
| Databáze: | Directory of Open Access Journals |
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