2-(4H-1,3-Benzoxazin-2-yl)phenol
نویسندگان
چکیده
منابع مشابه
2-(4H-1,3-Benzoxazin-2-yl)phenol
The title compound, C(14)H(11)NO(2), features an essentially planar mol-ecule, the r.m.s. deviation for the 17 non-H atoms being 0.035 Å. This conformation is stabilized by an intra-molecular O-H⋯N hydrogen bond that results in the formation of an S(6) ring. In the crystal structure, methyl-ene-hydr-oxy C-H⋯O contacts result in a supra-molecular chain aligned along the b axis.
متن کامل2-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 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 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 کامل(S)-6-Chloro-4-cyclopropylethynyl-4-trifluoromethyl-1H-3,1-benzoxazin-2(4H)-one
Two independent mol-ecules comprise the crystallographic asymmetric unit in the title anti-retroviral agent Efavirenz, C(14)H(9)ClF(3)NO(2), and these have noteworthy differences in conformation. The major difference relates to the orientation of the 2-cyclo-propyl-ethynyl residue relative to the six-membered heterocycle: this approaches an orthogonal disposition in mol-ecule a compared to a mo...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section E Structure Reports Online
سال: 2009
ISSN: 1600-5368
DOI: 10.1107/s1600536809047631