Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
نویسندگان
چکیده
منابع مشابه
Synthesis and Crystal Structure of 3-(4-Methoxyphenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Synthesis of the title compound from 4-methoxyaniline was accomplished in three steps. The structure was supported by spectroscopic data and unambiguously confirmed by single crystal X-ray diffraction data. It crystallizes in the monoclinic space group P21 with unit cell dimensions a = 9.9349(8), b = 6.3377(5), c = 10.5783(10) Å, β = 97.752(3)°, V = 659.97(10) Å, Z = 2.
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The base catalyzed intramolecular nucleophilic cyclization of 1-(2-bromobenzoyl)-3-(2-fluorophenyl)thiourea (1) in the presence of N,N-dimethyl formamide (DMF) afforded the 1-(3-fluorophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (2) by an intramolecular nucleophilic substitution SNAr mechanism. The structure was supported by the spectroscopic data and unambiguously confirmed by the single c...
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In the title compound, C(10)H(9)NOS(2), the dihedral angle between the rhodanine (2-thioxo-1,3-thia-zolidin-4-one) and 3-methyl-phenyl rings is 83.30 (3)°. The H atoms of the methyl group are disordered over two set of sites with an occupancy ratio of 0.58 (3):0.42 (3). In the crystal, the mol-ecules inter-act by way of C-H⋯π and C=O⋯π inter-actions.
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ژورنال
عنوان ژورنال: Crystals
سال: 2011
ISSN: 2073-4352
DOI: 10.3390/cryst1030171