3-Benzyl-5-methyl-1,2-benzoxazole 2-oxide

Autor:	A. Veera Reddy, G. Anuradha, G. Laxminarasimhulu, Vasuki Gopalsamy
Rok vydání:	2012
Předmět:	Crystallography Hydrogen bond Oxide Benzisoxazole General Chemistry Benzoxazole Dihedral angle Condensed Matter Physics Bioinformatics Organic Papers chemistry.chemical_compound chemistry Zigzag QD901-999 General Materials Science Isoxazole Benzene
Zdroj:	Acta Crystallographica Section E, Vol 68, Iss 10, Pp o2957-o2957 (2012) Acta Crystallographica Section E: Structure Reports
ISSN:	1600-5368
DOI:	10.1107/s160053681203838x
Popis:	In the title compound, C15H13NO2, the isoxazole unit and the attached benzene ring are almost coplanar, making a dihedral angle of 1.42 (8)°. The benzyl ring is inclined to the isoxazole ring by 74.19 (8)° and is in a +sc conformation with respect to the benzisoxazole unit. In the crystal, C—H...O hydrogen bonds link the molecules, forming zigzag chains propagating along the b axis. There are also π–π interactions present involving the isoxazole and benzyl rings [centroid–centroid distance = 3.5209 (10) Å], and C—H...π interactions involving the benzene ring of the benzoisoxazole unit and the methylene bridging group.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b02136301758b435424143b0a1aec19 https://doi.org/10.1107/s160053681203838x Zobrazit plný text záznamu