Crystal structure of 3-mercapto-4-N-(3′,4′,5′-trimethoxybenzylidene)-5-phenyl-1,2,4-triazole (C18H18N4O3S)
نویسندگان
چکیده
منابع مشابه
Crystal structure of 1-methoxy-5-methyl-N-phenyl-1,2,3-triazole-4-carboxamide
The title compound, C 11H12N4O2,was prepared via the transformation of sodium 4-acetyl-1-phenyl-1H-[1.2.3]triazolate under the action of meth-oxy-amine hydro-chloride. The dihedral angle between the triazole and phenyl rings is 25.12 (16)° and the C atom of the meth-oxy group deviates from the triazole plane by 0.894 (4)Å. The conformation of the CONHR-group is consolodated by an intra-molecula...
متن کاملSynthesis, crystal structure and quantum chemical study on 3-phenylamino-4-phenyl-1,2,4-triazole-5-thione.
3-Phenylamino-4-phenyl-1,2,4-triazole-5-thione was synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional theory calculations of the structure, natural bond orbitals, atomic charge distributions and thermodynamic functions of the title compound were performed at B3LYP/ 6-311G** and PBE1PBE/6-311G**levels of theory, respectively. NPA atom...
متن کاملCrystal structure of 4-amino-3-(3-methyl-5-phenyl-1H-pyrazol-1-yl)-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C12H12N6S, the dihedral angles between the central pyrazole ring and the pendant triazole and benzene rings are 68.01 (4) and 59.83 (9)°, respectively. In the crystal, mol-ecules are linked by N-H⋯N and N-H⋯S hydrogen bonds, generating (10-1) sheets.
متن کاملCrystal structure of bromido-fac-tricarbonyl[5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole-κ2 N,N′]rhenium(I)
In the title compound, [ReBr(C13H10N4)(CO)3], the Re(I) atom has a distorted octa-hedral coordination environment. Two N atoms of the 5-phenyl-3-(pyridin-2-yl)-1H-1,2,4-triazole ligand and two of the three carbonyl groups occupy the equatorial plane of the complex, with the third carbonyl ligand and the bromide ligand in the axial positions. The three carbonyl ligands are arranged in a fac conf...
متن کامل3-[(4-Phenoxyphenyl)sulfanyl]-5-phenyl-1H-1,2,4-triazole
The title compound, C20H15N3OS, is V-shaped. In the 4-phen-oxy-phenyl group, the two rings are inclined to one another by 74.52 (13)°. These rings are inclined to the triazole ring by 72.20 (15) and 72.30 (15)°, respectively. The phenyl ring is inclined to the triazole ring by 10.85 (12)°. In the crystal, mol-ecules are linked via N-H⋯N hydrogen bonds, forming chains propagating along [010]. Th...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2002
ISSN: 0108-7673
DOI: 10.1107/s0108767302095144