2-Benzylsulfanyl-4-[(4-methylphenyl)sulfanyl]-6-pentylpyrimidine-5-carbonitrile
نویسندگان
چکیده
In the title compound, C(24)H(25)N(3)S(2), the S-bound benzene rings have orthogonal [dihedral angle = 85.31 (9)°] and splayed [67.92 (11)°] orientations with respect to the pyrimidine ring; the dihedral angle between the benzene rings is 48.18 (12)°. The pentyl group has an extended all-trans conformation and lies to one side of the pyrimidine ring [the N(py)-C(py)-C(p)-C(p) torsion angle = -85.7 (2)°; py = pyrimidine and p = pent-yl].
منابع مشابه
2-(4-Methylphenyl)-5-[({[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)sulfanyl]-1,3,4-thiadiazole
In the title compound, C(19)H(16)N(4)S(4), the mol-ecules exhibit a butterfly conformation, where the thia-diazole and attached benzene rings in two wings are almost coplanar, with dihedral angles of 0.8 (3) and 0.9 (3)°, respectively, while the two thia-diazole rings form a dihedral angle of 46.3 (3)°.
متن کامل2-[(2-Methoxyethyl)sulfanyl]-4-(2-methylpropyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
In the title compound, C(12)H(17)N(3)O(2)S, the 4-methyl-2-methyl-sulfanyl-6-oxo-1,6-dihydro-pyrimidine-5-carbonitrile part of the mol-ecule is almost planar (r.m.s deviation = 0.062 Å). In the crystal, mol-ecules form centrosymmetric dimers via pairs of N-H⋯O hydrogen bonds.
متن کامل1-Methyl-4-({5-[(4-methylphenyl)sulfanyl]pentyl}sulfanyl)benzene
There are two independent mol-ecules in the asymmetric unit of the title compound, C(19)H(24)S(2). In both mol-ecules, the aliphatic segment of the ligand is in an all-trans conformation: the -S-(CH(2))(5)-S-bridging chain is almost planar (r.m.s. deviation for all non-H atoms = 0.0393 and 0.0796 Å in the two mol-ecules) and maximally extended. Their mean planes form dihedral angles of 4.08 (6)...
متن کامل2-Benzylsulfanyl-4-pentyl-6-(phenylsulfanyl)pyrimidine-5-carbonitrile
In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl-sulfanyl and benzyl-sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66 (6) and 64.73 (5)°, respectively. The n-pentyl group has an extended trans conformation. In the crystal, supra-molecular layers in the ab plane are sustaine...
متن کامل(2S,5S,6R)-5-(4-Methylphenyl)-3-phenyl-4,8-dioxa-3-azatricyclo[7.4.0.02,6]trideca-1(13),9,11-triene-6-carbonitrile
In the title compound, C(24)H(20)N(2)O(2), the six-membered pyran ring adopts a half-chair conformation with one C atom deviating from the mean plane of the remaining ring atoms by 0.654 (6) Å. The five-membered isoxazole ring adopts an N-envelope conformation with the N atom displaced by 0.742 (5) Å from the mean plane formed by the remaining ring atoms. The carbonitrile side chain is almost l...
متن کامل