2-Amino-5-methyl-3-(2-oxo-2-phenylethyl)-7-phenyl-4,5,6,7-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium bromide ethanol monosolvate
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چکیده
In the title compound, C20H22N5O(+)·Br(-)·C2H6O, the tetra-hydro-pyrimidine ring of the bicyclic cation adopts a half-chair conformation with an equatorial orientation of the phenyl and methyl substituents. The amino group is nearly coplanar with the 1,2,4-triazole ring [interplanar angle = 4.08 (8)°] and has a slightly pyramidal configuration. The mean planes of the triazole ring and the benzene ring of the phenacyl group form a dihedral angle of 88.58 (7)°. In the crystal, N-H⋯Br, N-H⋯O and O-H⋯Br hydrogen bonds link the cations, anions and ethanol mol-ecules into layers parallel to the bc plane.
منابع مشابه
Ethyl 5,5-dichloro-3-(4-chlorophenyl)-3a-methyl-4a-phenyl-3a,4,4a,5-tetrahydro-3H-aziridino[2,1-d][1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate
In the title compound, C(27)H(23)Cl(3)N(4)O(2), the seven-membered diazepine ring adopts a boat conformation. The triazole ring makes dihedral angles of 17.24 (8) and 82.86 (8)°, respectively, with the chloro-benzene ring and the benzene ring of the benzodiazepine unit.
متن کاملSynthesis and Crystal Structures of Azolo[b]1,3,4-Thiadiazinium Bromides
Three azolo[b]1,3,4-thiadiazinium bromides were prepared from the respective N-amino-N'-methylazolethiones and phenacyl bromide, and their crystal structures were determined. 6-Phenyl-1-methylimidazo[2,1-b]1,3,4-thiadiazinium bromide (1) crystallized as methanol solvate (P21/n), 6-phenyl-1-methyl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazinium bromide (2) as hemi-ethanol solvate (P21/n), and 6-phenyl-...
متن کاملHydrogen-bonded chains in 5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one and hydrogen-bonded chains of rings in 5-amino-3-trifluoromethyl-1H-1,2,4-triazole-5-methyl-2-trifluoromethyl-1,2,4-triazolo[1,5-a]pyrimidin-7(4H)-one (1/1), the co-crystal of a reaction product and one of its precursors.
In the title compounds, C7H5F3N4O, (I), and C3H3F3N4 C7H5F3N4O, (II), all of the molecular components exhibit some polarization of their molecular±electronic structures. The molecules in (I) are linked into simple C(6) chains, while in (II), the components are linked by a combination of twocentre NÐH N and NÐH O, and three-centre NÐ H (O,N) hydrogen bonds into chains containing R1(5), R2(6) and...
متن کامل7-Dimethylamino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol solvate1
7-Dimethyl-amino-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine crystallized with one mol-ecule of methanol to give the title compound, C(12)H(13)N(7)·CH(3)OH. The triazolo[1,5-a][1,3,5]triazine heterocyclic core is essentially planar as are both amino groups that are involved in π-electron delocalization with the triazolo[1,5-a][1,3,5]triazine nucleus. The methyl groups of the dimethyl-a...
متن کاملEthyl 7-chloromethyl-5-(2-chlorophenyl)-7-hydroxy-2-methylsulfanyl-4,5,6,7-tetrahydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
In the title compound, C(16)H(18)Cl(2)N(4)O(3)S, the five-membered ring is almost planar [maximum deviation = 0.011 (3) Å] and the six-membered ring adopts an envelope conformation. In the crystal structure, N-H⋯N, O-H⋯N and C-H⋯O inter-actions link mol-ecules into a three-dimensional network.
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