2-Phenyl-4H-3,1-benzoxazin-4-one
نویسندگان
چکیده
منابع مشابه
2-Phenyl-4H-3,1-benzoxazin-4-one
The title mol-ecule, C(14)H(9)NO(2), is nearly planar with a dihedral angle of 3.72 (4)° beteewn the plane of the phenyl ring and the 3,1-benzoxazin-4-one fragment. The mol-ecules are arranged into stacks parallel to the b axis via π-π stacking inter-actions [centroid-centroid distance = 4.2789 (11) Å] and the crystal packing is additionally stabilized by weak inter-molecular C-H⋯O inter-actions.
متن کاملVibrational spectroscopic studies and theoretical calculations of 2-phenyl-4H-3,1-benzoxazin-4-one
FT-IR and FT-Raman spectra of 2-phenyl-4H-3,1-benzoxazin-4-one were recorded and analyzed. The vibrational wavenumbers of the title compound have been computed using the HartreeFock and B3LYP levels of theory using 6-31G* basis set and compared with the experimental data. The results indicate that B3LYP calculations approximate the observed fundamental wavenumbers much better than the HF result...
متن کامل4-(2-Methoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one
The title mol-ecule, C(17)H(13)NO(3), adopts a Z configuration about the central olefinic bond. The 2-phenyl ring is almost coplanar with the plane of the oxazolone ring system, making a dihedral angle of 2.03 (11)°. The crystal structure is stabilized by π-π inter-actions between the oxazolone ring and phenyl ring of a neighbouring mol-ecule [centroid-centroid distance = 3.550 (3)Å], and by tw...
متن کامل2-(2-Amino-4-nitrophenyl)-7-nitro-4H-3,1-benzoxazin-4-one
In the title compound, C14H8N4O6, the benzoxazin-4-one fused-ring system (r.m.s. deviation = 0.018 Å) is coplanar with the attached benzene ring [dihedral angle = 0.81 (4)°], there being an intra-molecular N-H⋯N hydrogen bond between them. Each nitro group is twisted out of the plane of the attached benzene ring [O-N-C-C torsion angles = 167.94 (11) and 170.38 (11)°]. In the crystal, amine-nitr...
متن کامل7-Chloro-4-phenethyl-2H-1,4-benzoxazin-3(4H)-one
In the crystal structure of title compound, C(16)H(14)ClNO(2), the dihedral angle between the aromatic rings is 4.2 (2)°.
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2008
ISSN: 1600-5368
DOI: 10.1107/s1600536808042050