Crystal structure of (E)-3-[4-(benzylideneamino)-5-sulfanylidene-3-(p-tolyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]-3-(4-methoxyphenyl)-1-phenylpropan-1-one
نویسنده
چکیده
The title compound, C32H28N4O2S, crystallizes as a racemate. In the mol-ecule, the bond-angle sum at the C atom of the sulfanyl-idene entity bound to the triazole ring is 360°, with an annular N-C-N bond angle of 102.6 (2)° and two larger N-C-S angles of 127.3 (2) and 130.1 (2)°. The essentially planar 1,2,4-triazole ring (r.m.s. deviation = 0.013 Å) is nearly perpendicular to the phenylpropanone and methoxyphenyl rings , making dihedral angles of 76.9 (2) and 85.2 (2)°, respectively and subtends dihedral angles of 17.6 (2) and 40.3 (2)° with the tolyl and benzylideneamino rings, respectively. There is no π-π stacking between the mol-ecules. The crystal packing is dominated by weak C-H⋯O and C-H⋯N inter-actions, leading to a three-dimensional network structure. An intra-molecular C-H⋯S inter-action also occurs.
منابع مشابه
3-(4-Amino-3-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-3-(2-furyl)-1-phenylpropan-1-one
In the title mol-ecule, C(16)H(16)N(4)O(2)S, the plane of the 1,2,4-triazole ring forms dihedral angles of 77.9 (2) and 30.0 (2)° with the planes of the furyl and phenyl rings, respectively. Weak inter-molecular N-H⋯S and C-H⋯O hydrogen bonds consolidate the crystal packing.
متن کامل3-[4-Amino-3-(4-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-3-(2-chlorophenyl)-1-phenylpropan-1-one
In the title mol-ecule, C(24)H(21)ClN(4)OS, the 1,2,4-triazole ring forms dihedral angles of 37.2 (2), 71.9 (2) and 84.9 (2) ° with the three benzene rings. In the crystal, weak inter-molecular N-H⋯S hydrogen bonds link the mol-ecules into centrosymmetric dimers.
متن کامل3-(4-Amino-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-3-(2-chlorophenyl)-1-phenylpropan-1-one
In the title mol-ecule, C(23)H(19)ClN(4)OS, the 1,2,4-triazole ring forms dihedral angles of 46.5 (2), 87.4 (2) and 80.9 (2) Å with the three six-membered rings. Weak inter-molecular N-H⋯S and C-H⋯O hydrogen bonds consolidate the crystal packing.
متن کامل3-(4-Amino-3-ethyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)-3-(2-chlorophenyl)-1-phenylpropan-1-one
In the title mol-ecule, C(19)H(19)ClN(4)OS, the 1,2,4-triazole ring forms dihedral angles of 86.0 (2) and 65.6 (2)° with the phenyl and chloro-phenyl rings, respectively. In the crystal, inter-molecular N-H⋯S and N-H⋯O hydrogen bonds link mol-ecules into centrosymmetric dimers, which are further linked into chains in [001] via weak C-H⋯π inter-actions.
متن کاملEthyl 4-{[3-(adamantan-1-yl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
The title mol-ecule, C(26)H(35)N(5)O(2)S, displays a chair-shaped piperazine ring, as well as a planar triazole ring whose phenyl substituent is perpendicular to the mean plane of the five-membered ring [dihedral angle = 90.00 (13)°]. The methyl-ene substituent on the piperazine ring occupies an equatorial site. Weak inter-molecular C-H⋯O hydrogen bonding is present in the crystal structure. Th...
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